ChemWiki - User contributions [en]

It:Warfarin

2006-12-05T14:38:21Z

Ahig05: added jmol applet

==Warfarin==

===History===
It was found that cows that grazed in fields planted with Sweet Clover would die from bleeds whose origin was unknown. The condition became known as Sweet clover disease. In 1921 it was found that rotting sweet clover was the cause of the disease and not the plant while it was growing in the field. It was not until 1941 that the molecule causing the bleeding was found within the mulch, when Karl Link found that dicoumarol had anticoagulant properties and was present within the decaying clover. From this he later synthesised the stronger blood thinner warfarin, to be used as rat poison.

===Structure===
[[Image:war.gif|thumb|Structure]]
Warfarin contains a chiral centre, and therefore exists as two enantiomers, one with the benzene ring at the top of the diagram pointing out of the screen, and the other with it pointing down into the screen.

<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 05-Dec-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 05-Dec-06 0 NONE 4
ATOM 1 O 0 0.293 2.520 -1.433 0.00 0.00 O+0
ATOM 2 C 0 -0.365 2.910 -0.499 0.00 0.00 C+0
ATOM 3 C 0 -0.157 4.302 0.040 0.00 0.00 C+0
ATOM 4 C 0 -1.399 2.008 0.124 0.00 0.00 C+0
ATOM 5 C 0 -1.413 0.666 -0.610 0.00 0.00 C+0
ATOM 6 C 0 -0.047 0.034 -0.526 0.00 0.00 C+0
ATOM 7 C 0 0.832 0.426 0.445 0.00 0.00 C+0
ATOM 8 O 0 0.499 1.381 1.342 0.00 0.00 O+0
ATOM 9 C 0 2.153 -0.223 0.483 0.00 0.00 C+0
ATOM 10 C 0 3.100 0.129 1.448 0.00 0.00 C+0
ATOM 11 C 0 4.326 -0.498 1.457 0.00 0.00 C+0
ATOM 12 C 0 4.622 -1.472 0.515 0.00 0.00 C+0
ATOM 13 C 0 3.696 -1.828 -0.443 0.00 0.00 C+0
ATOM 14 C 0 2.452 -1.209 -0.470 0.00 0.00 C+0
ATOM 15 O 0 1.533 -1.546 -1.400 0.00 0.00 O+0
ATOM 16 C 0 0.324 -0.964 -1.440 0.00 0.00 C+0
ATOM 17 O 0 -0.469 -1.305 -2.300 0.00 0.00 O+0
ATOM 18 C 0 -2.428 -0.246 0.030 0.00 0.00 C+0
ATOM 19 C 0 -3.427 -0.815 -0.738 0.00 0.00 C+0
ATOM 20 C 0 -4.358 -1.651 -0.151 0.00 0.00 C+0
ATOM 21 C 0 -4.291 -1.918 1.204 0.00 0.00 C+0
ATOM 22 C 0 -3.292 -1.350 1.971 0.00 0.00 C+0
ATOM 23 C 0 -2.358 -0.517 1.384 0.00 0.00 C+0
ATOM 24 H 0 0.622 4.802 -0.536 0.00 0.00 H+0
ATOM 25 H 0 -1.086 4.866 -0.041 0.00 0.00 H+0
ATOM 26 H 0 0.144 4.246 1.086 0.00 0.00 H+0
ATOM 27 H 0 -1.155 1.846 1.174 0.00 0.00 H+0
ATOM 28 H 0 -2.382 2.474 0.047 0.00 0.00 H+0
ATOM 29 H 0 -1.676 0.825 -1.655 0.00 0.00 H+0
ATOM 30 H 0 1.262 1.495 1.925 0.00 0.00 H+0
ATOM 31 H 0 2.872 0.887 2.182 0.00 0.00 H+0
ATOM 32 H 0 5.061 -0.229 2.200 0.00 0.00 H+0
ATOM 33 H 0 5.587 -1.957 0.531 0.00 0.00 H+0
ATOM 34 H 0 3.937 -2.588 -1.172 0.00 0.00 H+0
ATOM 35 H 0 -3.480 -0.606 -1.796 0.00 0.00 H+0
ATOM 36 H 0 -5.139 -2.095 -0.750 0.00 0.00 H+0
ATOM 37 H 0 -5.019 -2.571 1.663 0.00 0.00 H+0
ATOM 38 H 0 -3.239 -1.558 3.030 0.00 0.00 H+0
ATOM 39 H 0 -1.577 -0.073 1.983 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 44
CONECT 2 1 3 4 0 NONE 45
CONECT 3 2 24 25 26 NONE 46
CONECT 4 2 5 27 28 NONE 47
CONECT 5 4 6 18 29 NONE 48
CONECT 6 5 16 7 0 NONE 49
CONECT 7 6 8 9 0 NONE 50
CONECT 8 7 30 0 0 NONE 51
CONECT 9 7 10 14 0 NONE 52
CONECT 10 9 11 31 0 NONE 53
CONECT 11 10 12 32 0 NONE 54
CONECT 12 11 13 33 0 NONE 55
CONECT 13 12 14 34 0 NONE 56
CONECT 14 9 13 15 0 NONE 57
CONECT 15 14 16 0 0 NONE 58
CONECT 16 15 6 17 0 NONE 59
CONECT 17 16 0 0 0 NONE 60
CONECT 18 5 23 19 0 NONE 61
CONECT 19 18 20 35 0 NONE 62
CONECT 20 19 21 36 0 NONE 63
CONECT 21 20 22 37 0 NONE 64
CONECT 22 21 23 38 0 NONE 65
CONECT 23 22 18 39 0 NONE 66
END NONE 67
</inlineContents>
</jmolApplet>
</jmol>

It:Tamiflu

2006-12-04T19:34:51Z

Ahig05: /* References */

{{Drug-Box |
| Box_Name = Tamiflu
| ImageFile = Tamiflu.JPG
| IUPACName = (3R,4R,5S)-4-acetylamino-5-amino-3-
(1-ethylpropoxy)-1-cyclohexene-
1-carboxylic acid ethyl ester
| OtherName = Tamiflu
| CASNo = 196618-13-0
| ATC_Code = J05AH02
| PubChem = 65028
| SMILES = 'O=C(C1=C[C@@H](OC(CC)CC)
[C@H](NC(C)=O)[C@@H](N)C1)OCC'
| Formula = C<sub>16</sub>H<sub>28</sub>N<sub>2</sub>O<sub>4</sub>
| MolarMass = 312.4 g/mol
| Bioavailability = 75%
| Protein_binding = None
| Metabolism = hepatic, to GS4071
| Half_life = 6-10hours
| Excretion = renal (GS4071)
| Pregnancy_cat = B1, C
| Legal_status = -
| Routes = Oral
}}
==Introduction==
Tamiflu is an antiviral currently used to treat flu pandemic victims. It acts by inhibiting neuraminidase that lives on the flu virus cells. Tamiflu was developed by Gilead Sciences, and it is currently marketed by Roche.

==Structure==
[[image:tamiflu.gif|200px]]

<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 04-Dec-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 04-Dec-06 0 NONE 4
ATOM 1 O 0 -3.189 -1.763 0.186 0.00 0.00 O+0
ATOM 2 C 0 -3.089 -0.555 0.098 0.00 0.00 C+0
ATOM 3 C 0 -1.763 0.077 0.142 0.00 0.00 C+0
ATOM 4 C 0 -0.709 -0.701 0.277 0.00 0.00 C+0
ATOM 5 C 0 0.701 -0.191 0.345 0.00 0.00 C+0
ATOM 6 H 0 1.044 -0.214 1.380 0.00 0.00 H+0
ATOM 7 O 0 1.545 -1.025 -0.451 0.00 0.00 O+0
ATOM 8 C 0 2.025 -2.065 0.404 0.00 0.00 C+0
ATOM 9 C 0 2.272 -3.330 -0.420 0.00 0.00 C+0
ATOM 10 C 0 0.942 -3.845 -0.975 0.00 0.00 C+0
ATOM 11 C 0 3.333 -1.621 1.061 0.00 0.00 C+0
ATOM 12 C 0 3.063 -0.430 1.983 0.00 0.00 C+0
ATOM 13 C 0 0.769 1.244 -0.181 0.00 0.00 C+0
ATOM 14 H 0 0.602 1.247 -1.258 0.00 0.00 H+0
ATOM 15 N 0 2.085 1.815 0.115 0.00 0.00 N+0
ATOM 16 C 0 3.117 1.598 -0.724 0.00 0.00 C+0
ATOM 17 C 0 4.471 2.186 -0.419 0.00 0.00 C+0
ATOM 18 O 0 2.957 0.930 -1.723 0.00 0.00 O+0
ATOM 19 C 0 -0.323 2.068 0.512 0.00 0.00 C+0
ATOM 20 H 0 -0.249 1.941 1.592 0.00 0.00 H+0
ATOM 21 N 0 -0.161 3.488 0.171 0.00 0.00 N+0
ATOM 22 C 0 -1.687 1.571 0.024 0.00 0.00 C+0
ATOM 23 O 0 -4.193 0.205 -0.044 0.00 0.00 O+0
ATOM 24 C 0 -5.503 -0.420 -0.093 0.00 0.00 C+0
ATOM 25 C 0 -6.576 0.658 -0.259 0.00 0.00 C+0
ATOM 26 H 0 -0.869 -1.767 0.343 0.00 0.00 H+0
ATOM 27 H 0 1.283 -2.272 1.175 0.00 0.00 H+0
ATOM 28 H 0 2.946 -3.101 -1.245 0.00 0.00 H+0
ATOM 29 H 0 2.721 -4.094 0.215 0.00 0.00 H+0
ATOM 30 H 0 0.268 -4.074 -0.149 0.00 0.00 H+0
ATOM 31 H 0 0.493 -3.080 -1.609 0.00 0.00 H+0
ATOM 32 H 0 1.118 -4.746 -1.562 0.00 0.00 H+0
ATOM 33 H 0 3.745 -2.445 1.644 0.00 0.00 H+0
ATOM 34 H 0 4.046 -1.328 0.290 0.00 0.00 H+0
ATOM 35 H 0 2.350 -0.722 2.754 0.00 0.00 H+0
ATOM 36 H 0 3.995 -0.114 2.451 0.00 0.00 H+0
ATOM 37 H 0 2.651 0.394 1.401 0.00 0.00 H+0
ATOM 38 H 0 2.213 2.349 0.914 0.00 0.00 H+0
ATOM 39 H 0 5.047 1.481 0.180 0.00 0.00 H+0
ATOM 40 H 0 4.999 2.386 -1.352 0.00 0.00 H+0
ATOM 41 H 0 4.347 3.117 0.134 0.00 0.00 H+0
ATOM 42 H 0 -0.898 3.986 0.647 0.00 0.00 H+0
ATOM 43 H 0 0.708 3.788 0.585 0.00 0.00 H+0
ATOM 44 H 0 -1.827 1.864 -1.017 0.00 0.00 H+0
ATOM 45 H 0 -2.473 2.018 0.632 0.00 0.00 H+0
ATOM 46 H 0 -5.546 -1.108 -0.937 0.00 0.00 H+0
ATOM 47 H 0 -5.678 -0.969 0.832 0.00 0.00 H+0
ATOM 48 H 0 -7.559 0.189 -0.296 0.00 0.00 H+0
ATOM 49 H 0 -6.533 1.346 0.585 0.00 0.00 H+0
ATOM 50 H 0 -6.400 1.206 -1.184 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 55
CONECT 2 1 3 23 0 NONE 56
CONECT 3 2 22 4 0 NONE 57
CONECT 4 3 5 26 0 NONE 58
CONECT 5 4 6 7 13 NONE 59
CONECT 7 5 8 0 0 NONE 60
CONECT 8 7 9 11 27 NONE 61
CONECT 9 8 10 28 29 NONE 62
CONECT 10 9 30 31 32 NONE 63
CONECT 11 8 12 33 34 NONE 64
CONECT 12 11 35 36 37 NONE 65
CONECT 13 5 14 15 19 NONE 66
CONECT 15 13 16 38 0 NONE 67
CONECT 16 15 17 18 0 NONE 68
CONECT 17 16 39 40 41 NONE 69
CONECT 18 16 0 0 0 NONE 70
CONECT 19 13 20 21 22 NONE 71
CONECT 21 19 42 43 0 NONE 72
CONECT 22 19 3 44 45 NONE 73
CONECT 23 2 24 0 0 NONE 74
CONECT 24 23 25 46 47 NONE 75
CONECT 25 24 48 49 50 NONE 76
END NONE 77
</inlineContents>
</jmolApplet>
</jmol>

==Synthesis==
The synthesis of ''Tamiflu'' uses shikimic acid which is extracted from the pods of star anise. The commercial synthesis of Tamiflu uses a complex 10 step synthesis with some steps using explosive azide. This limits the speed at which synthesis may be carried out. The process is extremely long, approximately 6-8 months to complete. To make things worse, 30kg of star anise only produces 1kg of shikimic acid. Hence, in order to be able to produce the quantities of Tamiflu required to fight a flu pandemic, either another source of shikimic acid must be found or another synthesis devised.

Image taken from http://en.wikipedia.org/wiki/Oseltamivir
[[image:Tamiflu2.gif|500px]]

==Mode of action==
Tamiflu binds to the neuraminidase on the surface of the virus, preventing it from invading the cell. This only inhibits the virus and not destroy it, thus at a certain point in time the drug will be useless as the infection would be too great to be inhibited effectively. Neuraminidase is important to the virus to both enter and exit the cell, thus by binding to it the infection is stopped as the virus can no longer leave and infect other cells.

==References==
* http://en.wikipedia.org/wiki/Oseltamivir
* http://www-jmg.ch.cam.ac.uk/data/molecules/misc/tamiflu.html
* http://www.chm.bris.ac.uk/webprojects2006/Campbell/index.htm
* http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=65028
* http://www.tamiflu.com
* http://www.journalresponse.com/search.php?query=Oseltamivir
* J. Org. Chem. 1998, 63, 4545-4550. Synthesis of Tamiflu.

It:Tamiflu

2006-12-04T19:33:50Z

Ahig05: /* Mode of action */

It:Tamiflu

2006-12-04T19:28:45Z

Ahig05: added references

{{Drug-Box |
| Box_Name = Tamiflu
| ImageFile = Tamiflu.JPG
| IUPACName = (3R,4R,5S)-4-acetylamino-5-amino-3-
(1-ethylpropoxy)-1-cyclohexene-
1-carboxylic acid ethyl ester
| OtherName = Tamiflu
| CASNo = 196618-13-0
| ATC_Code = J05AH02
| PubChem = 65028
| SMILES = 'O=C(C1=C[C@@H](OC(CC)CC)
[C@H](NC(C)=O)[C@@H](N)C1)OCC'
| Formula = C<sub>16</sub>H<sub>28</sub>N<sub>2</sub>O<sub>4</sub>
| MolarMass = 312.4 g/mol
| Bioavailability = 75%
| Protein_binding = None
| Metabolism = hepatic, to GS4071
| Half_life = 6-10hours
| Excretion = renal (GS4071)
| Pregnancy_cat = B1, C
| Legal_status = -
| Routes = Oral
}}
==Introduction==
Tamiflu is an antiviral currently used to treat flu pandemic victims. It acts by inhibiting neuraminidase that lives on the flu virus cells. Tamiflu was developed by Gilead Sciences, and it is currently marketed by Roche.

==Structure==
[[image:tamiflu.gif|200px]]

<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 04-Dec-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 04-Dec-06 0 NONE 4
ATOM 1 O 0 -3.189 -1.763 0.186 0.00 0.00 O+0
ATOM 2 C 0 -3.089 -0.555 0.098 0.00 0.00 C+0
ATOM 3 C 0 -1.763 0.077 0.142 0.00 0.00 C+0
ATOM 4 C 0 -0.709 -0.701 0.277 0.00 0.00 C+0
ATOM 5 C 0 0.701 -0.191 0.345 0.00 0.00 C+0
ATOM 6 H 0 1.044 -0.214 1.380 0.00 0.00 H+0
ATOM 7 O 0 1.545 -1.025 -0.451 0.00 0.00 O+0
ATOM 8 C 0 2.025 -2.065 0.404 0.00 0.00 C+0
ATOM 9 C 0 2.272 -3.330 -0.420 0.00 0.00 C+0
ATOM 10 C 0 0.942 -3.845 -0.975 0.00 0.00 C+0
ATOM 11 C 0 3.333 -1.621 1.061 0.00 0.00 C+0
ATOM 12 C 0 3.063 -0.430 1.983 0.00 0.00 C+0
ATOM 13 C 0 0.769 1.244 -0.181 0.00 0.00 C+0
ATOM 14 H 0 0.602 1.247 -1.258 0.00 0.00 H+0
ATOM 15 N 0 2.085 1.815 0.115 0.00 0.00 N+0
ATOM 16 C 0 3.117 1.598 -0.724 0.00 0.00 C+0
ATOM 17 C 0 4.471 2.186 -0.419 0.00 0.00 C+0
ATOM 18 O 0 2.957 0.930 -1.723 0.00 0.00 O+0
ATOM 19 C 0 -0.323 2.068 0.512 0.00 0.00 C+0
ATOM 20 H 0 -0.249 1.941 1.592 0.00 0.00 H+0
ATOM 21 N 0 -0.161 3.488 0.171 0.00 0.00 N+0
ATOM 22 C 0 -1.687 1.571 0.024 0.00 0.00 C+0
ATOM 23 O 0 -4.193 0.205 -0.044 0.00 0.00 O+0
ATOM 24 C 0 -5.503 -0.420 -0.093 0.00 0.00 C+0
ATOM 25 C 0 -6.576 0.658 -0.259 0.00 0.00 C+0
ATOM 26 H 0 -0.869 -1.767 0.343 0.00 0.00 H+0
ATOM 27 H 0 1.283 -2.272 1.175 0.00 0.00 H+0
ATOM 28 H 0 2.946 -3.101 -1.245 0.00 0.00 H+0
ATOM 29 H 0 2.721 -4.094 0.215 0.00 0.00 H+0
ATOM 30 H 0 0.268 -4.074 -0.149 0.00 0.00 H+0
ATOM 31 H 0 0.493 -3.080 -1.609 0.00 0.00 H+0
ATOM 32 H 0 1.118 -4.746 -1.562 0.00 0.00 H+0
ATOM 33 H 0 3.745 -2.445 1.644 0.00 0.00 H+0
ATOM 34 H 0 4.046 -1.328 0.290 0.00 0.00 H+0
ATOM 35 H 0 2.350 -0.722 2.754 0.00 0.00 H+0
ATOM 36 H 0 3.995 -0.114 2.451 0.00 0.00 H+0
ATOM 37 H 0 2.651 0.394 1.401 0.00 0.00 H+0
ATOM 38 H 0 2.213 2.349 0.914 0.00 0.00 H+0
ATOM 39 H 0 5.047 1.481 0.180 0.00 0.00 H+0
ATOM 40 H 0 4.999 2.386 -1.352 0.00 0.00 H+0
ATOM 41 H 0 4.347 3.117 0.134 0.00 0.00 H+0
ATOM 42 H 0 -0.898 3.986 0.647 0.00 0.00 H+0
ATOM 43 H 0 0.708 3.788 0.585 0.00 0.00 H+0
ATOM 44 H 0 -1.827 1.864 -1.017 0.00 0.00 H+0
ATOM 45 H 0 -2.473 2.018 0.632 0.00 0.00 H+0
ATOM 46 H 0 -5.546 -1.108 -0.937 0.00 0.00 H+0
ATOM 47 H 0 -5.678 -0.969 0.832 0.00 0.00 H+0
ATOM 48 H 0 -7.559 0.189 -0.296 0.00 0.00 H+0
ATOM 49 H 0 -6.533 1.346 0.585 0.00 0.00 H+0
ATOM 50 H 0 -6.400 1.206 -1.184 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 55
CONECT 2 1 3 23 0 NONE 56
CONECT 3 2 22 4 0 NONE 57
CONECT 4 3 5 26 0 NONE 58
CONECT 5 4 6 7 13 NONE 59
CONECT 7 5 8 0 0 NONE 60
CONECT 8 7 9 11 27 NONE 61
CONECT 9 8 10 28 29 NONE 62
CONECT 10 9 30 31 32 NONE 63
CONECT 11 8 12 33 34 NONE 64
CONECT 12 11 35 36 37 NONE 65
CONECT 13 5 14 15 19 NONE 66
CONECT 15 13 16 38 0 NONE 67
CONECT 16 15 17 18 0 NONE 68
CONECT 17 16 39 40 41 NONE 69
CONECT 18 16 0 0 0 NONE 70
CONECT 19 13 20 21 22 NONE 71
CONECT 21 19 42 43 0 NONE 72
CONECT 22 19 3 44 45 NONE 73
CONECT 23 2 24 0 0 NONE 74
CONECT 24 23 25 46 47 NONE 75
CONECT 25 24 48 49 50 NONE 76
END NONE 77
</inlineContents>
</jmolApplet>
</jmol>

==Synthesis==
The synthesis of ''Tamiflu'' uses shikimic acid which is extracted from the pods of star anise. The commercial synthesis of Tamiflu uses a complex 10 step synthesis with some steps using explosive azide. This limits the speed at which synthesis may be carried out. The process is extremely long, approximately 6-8 months to complete. To make things worse, 30kg of star anise only produces 1kg of shikimic acid. Hence, in order to be able to produce the quantities of Tamiflu required to fight a flu pandemic, either another source of shikimic acid must be found or another synthesis devised.

Image taken from http://en.wikipedia.org/wiki/Oseltamivir
[[image:Tamiflu2.gif|500px]]

==Mode of action==
Tamiflu binds to the neuraminidase on the surface of the virus, preventing it from invading the cell. This only inhibits the virus and not destroy it, thus at a certain point in time the drug will be useless as the infection would be too great to be inhibited effectively. Neuraminidase is important to the virus to both enter and exit the cell by destroying the membrane, thus by binding to it, the infection is stopped.

==References==
* http://en.wikipedia.org/wiki/Oseltamivir
* http://www-jmg.ch.cam.ac.uk/data/molecules/misc/tamiflu.html
* http://www.chm.bris.ac.uk/webprojects2006/Campbell/index.htm
* http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=65028
* http://www.tamiflu.com
* http://www.journalresponse.com/search.php?query=Oseltamivir

It:Tamiflu

2006-12-04T19:25:27Z

Ahig05: mode of action added

{{Drug-Box |
| Box_Name = Tamiflu
| ImageFile = Tamiflu.JPG
| IUPACName = (3R,4R,5S)-4-acetylamino-5-amino-3-
(1-ethylpropoxy)-1-cyclohexene-
1-carboxylic acid ethyl ester
| OtherName = Tamiflu
| CASNo = 196618-13-0
| ATC_Code = J05AH02
| PubChem = 65028
| SMILES = 'O=C(C1=C[C@@H](OC(CC)CC)
[C@H](NC(C)=O)[C@@H](N)C1)OCC'
| Formula = C<sub>16</sub>H<sub>28</sub>N<sub>2</sub>O<sub>4</sub>
| MolarMass = 312.4 g/mol
| Bioavailability = 75%
| Protein_binding = None
| Metabolism = hepatic, to GS4071
| Half_life = 6-10hours
| Excretion = renal (GS4071)
| Pregnancy_cat = B1, C
| Legal_status = -
| Routes = Oral
}}
==Introduction==
Tamiflu is an antiviral currently used to treat flu pandemic victims. It acts by inhibiting neuraminidase that lives on the flu virus cells. Tamiflu was developed by Gilead Sciences, and it is currently marketed by Roche.

==Structure==
[[image:tamiflu.gif|200px]]

<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 04-Dec-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 04-Dec-06 0 NONE 4
ATOM 1 O 0 -3.189 -1.763 0.186 0.00 0.00 O+0
ATOM 2 C 0 -3.089 -0.555 0.098 0.00 0.00 C+0
ATOM 3 C 0 -1.763 0.077 0.142 0.00 0.00 C+0
ATOM 4 C 0 -0.709 -0.701 0.277 0.00 0.00 C+0
ATOM 5 C 0 0.701 -0.191 0.345 0.00 0.00 C+0
ATOM 6 H 0 1.044 -0.214 1.380 0.00 0.00 H+0
ATOM 7 O 0 1.545 -1.025 -0.451 0.00 0.00 O+0
ATOM 8 C 0 2.025 -2.065 0.404 0.00 0.00 C+0
ATOM 9 C 0 2.272 -3.330 -0.420 0.00 0.00 C+0
ATOM 10 C 0 0.942 -3.845 -0.975 0.00 0.00 C+0
ATOM 11 C 0 3.333 -1.621 1.061 0.00 0.00 C+0
ATOM 12 C 0 3.063 -0.430 1.983 0.00 0.00 C+0
ATOM 13 C 0 0.769 1.244 -0.181 0.00 0.00 C+0
ATOM 14 H 0 0.602 1.247 -1.258 0.00 0.00 H+0
ATOM 15 N 0 2.085 1.815 0.115 0.00 0.00 N+0
ATOM 16 C 0 3.117 1.598 -0.724 0.00 0.00 C+0
ATOM 17 C 0 4.471 2.186 -0.419 0.00 0.00 C+0
ATOM 18 O 0 2.957 0.930 -1.723 0.00 0.00 O+0
ATOM 19 C 0 -0.323 2.068 0.512 0.00 0.00 C+0
ATOM 20 H 0 -0.249 1.941 1.592 0.00 0.00 H+0
ATOM 21 N 0 -0.161 3.488 0.171 0.00 0.00 N+0
ATOM 22 C 0 -1.687 1.571 0.024 0.00 0.00 C+0
ATOM 23 O 0 -4.193 0.205 -0.044 0.00 0.00 O+0
ATOM 24 C 0 -5.503 -0.420 -0.093 0.00 0.00 C+0
ATOM 25 C 0 -6.576 0.658 -0.259 0.00 0.00 C+0
ATOM 26 H 0 -0.869 -1.767 0.343 0.00 0.00 H+0
ATOM 27 H 0 1.283 -2.272 1.175 0.00 0.00 H+0
ATOM 28 H 0 2.946 -3.101 -1.245 0.00 0.00 H+0
ATOM 29 H 0 2.721 -4.094 0.215 0.00 0.00 H+0
ATOM 30 H 0 0.268 -4.074 -0.149 0.00 0.00 H+0
ATOM 31 H 0 0.493 -3.080 -1.609 0.00 0.00 H+0
ATOM 32 H 0 1.118 -4.746 -1.562 0.00 0.00 H+0
ATOM 33 H 0 3.745 -2.445 1.644 0.00 0.00 H+0
ATOM 34 H 0 4.046 -1.328 0.290 0.00 0.00 H+0
ATOM 35 H 0 2.350 -0.722 2.754 0.00 0.00 H+0
ATOM 36 H 0 3.995 -0.114 2.451 0.00 0.00 H+0
ATOM 37 H 0 2.651 0.394 1.401 0.00 0.00 H+0
ATOM 38 H 0 2.213 2.349 0.914 0.00 0.00 H+0
ATOM 39 H 0 5.047 1.481 0.180 0.00 0.00 H+0
ATOM 40 H 0 4.999 2.386 -1.352 0.00 0.00 H+0
ATOM 41 H 0 4.347 3.117 0.134 0.00 0.00 H+0
ATOM 42 H 0 -0.898 3.986 0.647 0.00 0.00 H+0
ATOM 43 H 0 0.708 3.788 0.585 0.00 0.00 H+0
ATOM 44 H 0 -1.827 1.864 -1.017 0.00 0.00 H+0
ATOM 45 H 0 -2.473 2.018 0.632 0.00 0.00 H+0
ATOM 46 H 0 -5.546 -1.108 -0.937 0.00 0.00 H+0
ATOM 47 H 0 -5.678 -0.969 0.832 0.00 0.00 H+0
ATOM 48 H 0 -7.559 0.189 -0.296 0.00 0.00 H+0
ATOM 49 H 0 -6.533 1.346 0.585 0.00 0.00 H+0
ATOM 50 H 0 -6.400 1.206 -1.184 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 55
CONECT 2 1 3 23 0 NONE 56
CONECT 3 2 22 4 0 NONE 57
CONECT 4 3 5 26 0 NONE 58
CONECT 5 4 6 7 13 NONE 59
CONECT 7 5 8 0 0 NONE 60
CONECT 8 7 9 11 27 NONE 61
CONECT 9 8 10 28 29 NONE 62
CONECT 10 9 30 31 32 NONE 63
CONECT 11 8 12 33 34 NONE 64
CONECT 12 11 35 36 37 NONE 65
CONECT 13 5 14 15 19 NONE 66
CONECT 15 13 16 38 0 NONE 67
CONECT 16 15 17 18 0 NONE 68
CONECT 17 16 39 40 41 NONE 69
CONECT 18 16 0 0 0 NONE 70
CONECT 19 13 20 21 22 NONE 71
CONECT 21 19 42 43 0 NONE 72
CONECT 22 19 3 44 45 NONE 73
CONECT 23 2 24 0 0 NONE 74
CONECT 24 23 25 46 47 NONE 75
CONECT 25 24 48 49 50 NONE 76
END NONE 77
</inlineContents>
</jmolApplet>
</jmol>

==Synthesis==
The synthesis of ''Tamiflu'' uses shikimic acid which is extracted from the pods of star anise. The commercial synthesis of Tamiflu uses a complex 10 step synthesis with some steps using explosive azide. This limits the speed at which synthesis may be carried out. The process is extremely long, approximately 6-8 months to complete. To make things worse, 30kg of star anise only produces 1kg of shikimic acid. Hence, in order to be able to produce the quantities of Tamiflu required to fight a flu pandemic, either another source of shikimic acid must be found or another synthesis devised.

Image taken from http://en.wikipedia.org/wiki/Oseltamivir
[[image:Tamiflu2.gif|500px]]

==Mode of action==
Tamiflu binds to the neuraminidase on the surface of the virus, preventing it from invading the cell. This only inhibits the virus and not destroy it, thus at a certain point in time the drug will be useless as the infection would be too great to be inhibited effectively. Neuraminidase is important to the virus to both enter and exit the cell by destroying the membrane, thus by binding to it, the infection is stopped.

It:Tamiflu

2006-12-04T19:21:59Z

Ahig05:

It:Tamiflu

2006-12-04T18:36:12Z

Ahig05: /* Synthesis */

{{Drug-Box |
| Box_Name = Tamiflu
| ImageFile = Tamiflu.JPG
| IUPACName = (3R,4R,5S)-4-acetylamino-5-amino-3-
(1-ethylpropoxy)-1-cyclohexene-
1-carboxylic acid ethyl ester
| OtherName = Tamiflu
| CASNo = 196618-13-0
| ATC_Code = J05AH02
| PubChem = 65028
| SMILES = 'O=C(C1=C[C@@H](OC(CC)CC)
[C@H](NC(C)=O)[C@@H](N)C1)OCC'
| Formula = C<sub>16</sub>H<sub>28</sub>N<sub>2</sub>O<sub>4</sub>
| MolarMass = 312.4 g/mol
| Bioavailability = 75%
| Protein_binding = None
| Metabolism = hepatic, to GS4071
| Half_life = 6-10hours
| Excretion = renal (GS4071)
| Pregnancy_cat = B1, C
| Legal_status = -
| Routes = Oral
}}
==Introduction==
Tamiflu is an antiviral currently used to treat flu pandemic victims. It acts by inhibiting neuraminidase that lives on the flu virus cells. Tamiflu was developed by Gilead Sciences, and it is currently marketed by Roche.

==Synthesis==
The synthesis of ''Tamiflu'' uses shikimic acid which is extracted from the pods of star anise. The commercial synthesis of Tamiflu uses a complex 10 step synthesis with some steps using explosive azide. This limits the speed at which synthesis may be carried out. The process is extremely long, approximately 6-8 months to complete. To make things worse, 30kg of star anise only produces 1kg of shikimic acid. Hence, in order to be able to produce the quantities of Tamiflu required to fight a flu pandemic, either another source of shikimic acid must be found or another synthesis devised.

Image taken from http://en.wikipedia.org/wiki/Oseltamivir
[[image:Tamiflu2.gif|500px]]

==Structure==
[[image:tamiflu.gif|200px]]

<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 04-Dec-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 04-Dec-06 0 NONE 4
ATOM 1 O 0 -3.189 -1.763 0.186 0.00 0.00 O+0
ATOM 2 C 0 -3.089 -0.555 0.098 0.00 0.00 C+0
ATOM 3 C 0 -1.763 0.077 0.142 0.00 0.00 C+0
ATOM 4 C 0 -0.709 -0.701 0.277 0.00 0.00 C+0
ATOM 5 C 0 0.701 -0.191 0.345 0.00 0.00 C+0
ATOM 6 H 0 1.044 -0.214 1.380 0.00 0.00 H+0
ATOM 7 O 0 1.545 -1.025 -0.451 0.00 0.00 O+0
ATOM 8 C 0 2.025 -2.065 0.404 0.00 0.00 C+0
ATOM 9 C 0 2.272 -3.330 -0.420 0.00 0.00 C+0
ATOM 10 C 0 0.942 -3.845 -0.975 0.00 0.00 C+0
ATOM 11 C 0 3.333 -1.621 1.061 0.00 0.00 C+0
ATOM 12 C 0 3.063 -0.430 1.983 0.00 0.00 C+0
ATOM 13 C 0 0.769 1.244 -0.181 0.00 0.00 C+0
ATOM 14 H 0 0.602 1.247 -1.258 0.00 0.00 H+0
ATOM 15 N 0 2.085 1.815 0.115 0.00 0.00 N+0
ATOM 16 C 0 3.117 1.598 -0.724 0.00 0.00 C+0
ATOM 17 C 0 4.471 2.186 -0.419 0.00 0.00 C+0
ATOM 18 O 0 2.957 0.930 -1.723 0.00 0.00 O+0
ATOM 19 C 0 -0.323 2.068 0.512 0.00 0.00 C+0
ATOM 20 H 0 -0.249 1.941 1.592 0.00 0.00 H+0
ATOM 21 N 0 -0.161 3.488 0.171 0.00 0.00 N+0
ATOM 22 C 0 -1.687 1.571 0.024 0.00 0.00 C+0
ATOM 23 O 0 -4.193 0.205 -0.044 0.00 0.00 O+0
ATOM 24 C 0 -5.503 -0.420 -0.093 0.00 0.00 C+0
ATOM 25 C 0 -6.576 0.658 -0.259 0.00 0.00 C+0
ATOM 26 H 0 -0.869 -1.767 0.343 0.00 0.00 H+0
ATOM 27 H 0 1.283 -2.272 1.175 0.00 0.00 H+0
ATOM 28 H 0 2.946 -3.101 -1.245 0.00 0.00 H+0
ATOM 29 H 0 2.721 -4.094 0.215 0.00 0.00 H+0
ATOM 30 H 0 0.268 -4.074 -0.149 0.00 0.00 H+0
ATOM 31 H 0 0.493 -3.080 -1.609 0.00 0.00 H+0
ATOM 32 H 0 1.118 -4.746 -1.562 0.00 0.00 H+0
ATOM 33 H 0 3.745 -2.445 1.644 0.00 0.00 H+0
ATOM 34 H 0 4.046 -1.328 0.290 0.00 0.00 H+0
ATOM 35 H 0 2.350 -0.722 2.754 0.00 0.00 H+0
ATOM 36 H 0 3.995 -0.114 2.451 0.00 0.00 H+0
ATOM 37 H 0 2.651 0.394 1.401 0.00 0.00 H+0
ATOM 38 H 0 2.213 2.349 0.914 0.00 0.00 H+0
ATOM 39 H 0 5.047 1.481 0.180 0.00 0.00 H+0
ATOM 40 H 0 4.999 2.386 -1.352 0.00 0.00 H+0
ATOM 41 H 0 4.347 3.117 0.134 0.00 0.00 H+0
ATOM 42 H 0 -0.898 3.986 0.647 0.00 0.00 H+0
ATOM 43 H 0 0.708 3.788 0.585 0.00 0.00 H+0
ATOM 44 H 0 -1.827 1.864 -1.017 0.00 0.00 H+0
ATOM 45 H 0 -2.473 2.018 0.632 0.00 0.00 H+0
ATOM 46 H 0 -5.546 -1.108 -0.937 0.00 0.00 H+0
ATOM 47 H 0 -5.678 -0.969 0.832 0.00 0.00 H+0
ATOM 48 H 0 -7.559 0.189 -0.296 0.00 0.00 H+0
ATOM 49 H 0 -6.533 1.346 0.585 0.00 0.00 H+0
ATOM 50 H 0 -6.400 1.206 -1.184 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 55
CONECT 2 1 3 23 0 NONE 56
CONECT 3 2 22 4 0 NONE 57
CONECT 4 3 5 26 0 NONE 58
CONECT 5 4 6 7 13 NONE 59
CONECT 7 5 8 0 0 NONE 60
CONECT 8 7 9 11 27 NONE 61
CONECT 9 8 10 28 29 NONE 62
CONECT 10 9 30 31 32 NONE 63
CONECT 11 8 12 33 34 NONE 64
CONECT 12 11 35 36 37 NONE 65
CONECT 13 5 14 15 19 NONE 66
CONECT 15 13 16 38 0 NONE 67
CONECT 16 15 17 18 0 NONE 68
CONECT 17 16 39 40 41 NONE 69
CONECT 18 16 0 0 0 NONE 70
CONECT 19 13 20 21 22 NONE 71
CONECT 21 19 42 43 0 NONE 72
CONECT 22 19 3 44 45 NONE 73
CONECT 23 2 24 0 0 NONE 74
CONECT 24 23 25 46 47 NONE 75
CONECT 25 24 48 49 50 NONE 76
END NONE 77
</inlineContents>
</jmolApplet>
</jmol>

It:Tamiflu

2006-12-04T18:35:57Z

Ahig05: /* Synthesis */

{{Drug-Box |
| Box_Name = Tamiflu
| ImageFile = Tamiflu.JPG
| IUPACName = (3R,4R,5S)-4-acetylamino-5-amino-3-
(1-ethylpropoxy)-1-cyclohexene-
1-carboxylic acid ethyl ester
| OtherName = Tamiflu
| CASNo = 196618-13-0
| ATC_Code = J05AH02
| PubChem = 65028
| SMILES = 'O=C(C1=C[C@@H](OC(CC)CC)
[C@H](NC(C)=O)[C@@H](N)C1)OCC'
| Formula = C<sub>16</sub>H<sub>28</sub>N<sub>2</sub>O<sub>4</sub>
| MolarMass = 312.4 g/mol
| Bioavailability = 75%
| Protein_binding = None
| Metabolism = hepatic, to GS4071
| Half_life = 6-10hours
| Excretion = renal (GS4071)
| Pregnancy_cat = B1, C
| Legal_status = -
| Routes = Oral
}}
==Introduction==
Tamiflu is an antiviral currently used to treat flu pandemic victims. It acts by inhibiting neuraminidase that lives on the flu virus cells. Tamiflu was developed by Gilead Sciences, and it is currently marketed by Roche.

==Synthesis==
The synthesis of ''Tamiflu'' uses shikimic acid which is extracted from the pods of star anise. The commercial synthesis of Tamiflu uses a complex 10 step synthesis with some steps using explosive azide. This limits the speed at which synthesis may be carried out. The process is extremely long, approximately 6-8 months to complete. To make things worse, 30kg of star anise only produces 1kg of shikimic acid. Hence, in order to be able to produce the quantities of Tamiflu required to fight a flu pandemic, either another source of shikimic acid must be found or another synthesis devised.

Image taken from http://en.wikipedia.org/wiki/Oseltamivir
[[image:Tamiflu2.gif|600px]]

==Structure==
[[image:tamiflu.gif|200px]]

<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 04-Dec-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 04-Dec-06 0 NONE 4
ATOM 1 O 0 -3.189 -1.763 0.186 0.00 0.00 O+0
ATOM 2 C 0 -3.089 -0.555 0.098 0.00 0.00 C+0
ATOM 3 C 0 -1.763 0.077 0.142 0.00 0.00 C+0
ATOM 4 C 0 -0.709 -0.701 0.277 0.00 0.00 C+0
ATOM 5 C 0 0.701 -0.191 0.345 0.00 0.00 C+0
ATOM 6 H 0 1.044 -0.214 1.380 0.00 0.00 H+0
ATOM 7 O 0 1.545 -1.025 -0.451 0.00 0.00 O+0
ATOM 8 C 0 2.025 -2.065 0.404 0.00 0.00 C+0
ATOM 9 C 0 2.272 -3.330 -0.420 0.00 0.00 C+0
ATOM 10 C 0 0.942 -3.845 -0.975 0.00 0.00 C+0
ATOM 11 C 0 3.333 -1.621 1.061 0.00 0.00 C+0
ATOM 12 C 0 3.063 -0.430 1.983 0.00 0.00 C+0
ATOM 13 C 0 0.769 1.244 -0.181 0.00 0.00 C+0
ATOM 14 H 0 0.602 1.247 -1.258 0.00 0.00 H+0
ATOM 15 N 0 2.085 1.815 0.115 0.00 0.00 N+0
ATOM 16 C 0 3.117 1.598 -0.724 0.00 0.00 C+0
ATOM 17 C 0 4.471 2.186 -0.419 0.00 0.00 C+0
ATOM 18 O 0 2.957 0.930 -1.723 0.00 0.00 O+0
ATOM 19 C 0 -0.323 2.068 0.512 0.00 0.00 C+0
ATOM 20 H 0 -0.249 1.941 1.592 0.00 0.00 H+0
ATOM 21 N 0 -0.161 3.488 0.171 0.00 0.00 N+0
ATOM 22 C 0 -1.687 1.571 0.024 0.00 0.00 C+0
ATOM 23 O 0 -4.193 0.205 -0.044 0.00 0.00 O+0
ATOM 24 C 0 -5.503 -0.420 -0.093 0.00 0.00 C+0
ATOM 25 C 0 -6.576 0.658 -0.259 0.00 0.00 C+0
ATOM 26 H 0 -0.869 -1.767 0.343 0.00 0.00 H+0
ATOM 27 H 0 1.283 -2.272 1.175 0.00 0.00 H+0
ATOM 28 H 0 2.946 -3.101 -1.245 0.00 0.00 H+0
ATOM 29 H 0 2.721 -4.094 0.215 0.00 0.00 H+0
ATOM 30 H 0 0.268 -4.074 -0.149 0.00 0.00 H+0
ATOM 31 H 0 0.493 -3.080 -1.609 0.00 0.00 H+0
ATOM 32 H 0 1.118 -4.746 -1.562 0.00 0.00 H+0
ATOM 33 H 0 3.745 -2.445 1.644 0.00 0.00 H+0
ATOM 34 H 0 4.046 -1.328 0.290 0.00 0.00 H+0
ATOM 35 H 0 2.350 -0.722 2.754 0.00 0.00 H+0
ATOM 36 H 0 3.995 -0.114 2.451 0.00 0.00 H+0
ATOM 37 H 0 2.651 0.394 1.401 0.00 0.00 H+0
ATOM 38 H 0 2.213 2.349 0.914 0.00 0.00 H+0
ATOM 39 H 0 5.047 1.481 0.180 0.00 0.00 H+0
ATOM 40 H 0 4.999 2.386 -1.352 0.00 0.00 H+0
ATOM 41 H 0 4.347 3.117 0.134 0.00 0.00 H+0
ATOM 42 H 0 -0.898 3.986 0.647 0.00 0.00 H+0
ATOM 43 H 0 0.708 3.788 0.585 0.00 0.00 H+0
ATOM 44 H 0 -1.827 1.864 -1.017 0.00 0.00 H+0
ATOM 45 H 0 -2.473 2.018 0.632 0.00 0.00 H+0
ATOM 46 H 0 -5.546 -1.108 -0.937 0.00 0.00 H+0
ATOM 47 H 0 -5.678 -0.969 0.832 0.00 0.00 H+0
ATOM 48 H 0 -7.559 0.189 -0.296 0.00 0.00 H+0
ATOM 49 H 0 -6.533 1.346 0.585 0.00 0.00 H+0
ATOM 50 H 0 -6.400 1.206 -1.184 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 55
CONECT 2 1 3 23 0 NONE 56
CONECT 3 2 22 4 0 NONE 57
CONECT 4 3 5 26 0 NONE 58
CONECT 5 4 6 7 13 NONE 59
CONECT 7 5 8 0 0 NONE 60
CONECT 8 7 9 11 27 NONE 61
CONECT 9 8 10 28 29 NONE 62
CONECT 10 9 30 31 32 NONE 63
CONECT 11 8 12 33 34 NONE 64
CONECT 12 11 35 36 37 NONE 65
CONECT 13 5 14 15 19 NONE 66
CONECT 15 13 16 38 0 NONE 67
CONECT 16 15 17 18 0 NONE 68
CONECT 17 16 39 40 41 NONE 69
CONECT 18 16 0 0 0 NONE 70
CONECT 19 13 20 21 22 NONE 71
CONECT 21 19 42 43 0 NONE 72
CONECT 22 19 3 44 45 NONE 73
CONECT 23 2 24 0 0 NONE 74
CONECT 24 23 25 46 47 NONE 75
CONECT 25 24 48 49 50 NONE 76
END NONE 77
</inlineContents>
</jmolApplet>
</jmol>

File:Tamiflu2.gif

2006-12-04T18:33:30Z

Ahig05: tamiflu synthesis

tamiflu synthesis

It:Tamiflu

2006-12-04T18:32:52Z

Ahig05: added synthesis

{{Drug-Box |
| Box_Name = Tamiflu
| ImageFile = Tamiflu.JPG
| IUPACName = (3R,4R,5S)-4-acetylamino-5-amino-3-
(1-ethylpropoxy)-1-cyclohexene-
1-carboxylic acid ethyl ester
| OtherName = Tamiflu
| CASNo = 196618-13-0
| ATC_Code = J05AH02
| PubChem = 65028
| SMILES = 'O=C(C1=C[C@@H](OC(CC)CC)
[C@H](NC(C)=O)[C@@H](N)C1)OCC'
| Formula = C<sub>16</sub>H<sub>28</sub>N<sub>2</sub>O<sub>4</sub>
| MolarMass = 312.4 g/mol
| Bioavailability = 75%
| Protein_binding = None
| Metabolism = hepatic, to GS4071
| Half_life = 6-10hours
| Excretion = renal (GS4071)
| Pregnancy_cat = B1, C
| Legal_status = -
| Routes = Oral
}}
==Introduction==
Tamiflu is an antiviral currently used to treat flu pandemic victims. It acts by inhibiting neuraminidase that lives on the flu virus cells. Tamiflu was developed by Gilead Sciences, and it is currently marketed by Roche.

==Synthesis==
The synthesis of ''Tamiflu'' uses shikimic acid which is extracted from the pods of star anise. The commercial synthesis of Tamiflu uses a complex 10 step synthesis with some steps using explosive azide. This limits the speed at which synthesis may be carried out. The process is extremely long, approximately 6-8 months to complete. To make things worse, 30kg of star anise only produces 1kg of shikimic acid. Hence, in order to be able to produce the quantities of Tamiflu required to fight a flu pandemic, either another source of shikimic acid must be found or another synthesis devised.

==Structure==
[[image:tamiflu.gif|200px]]

<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 04-Dec-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 04-Dec-06 0 NONE 4
ATOM 1 O 0 -3.189 -1.763 0.186 0.00 0.00 O+0
ATOM 2 C 0 -3.089 -0.555 0.098 0.00 0.00 C+0
ATOM 3 C 0 -1.763 0.077 0.142 0.00 0.00 C+0
ATOM 4 C 0 -0.709 -0.701 0.277 0.00 0.00 C+0
ATOM 5 C 0 0.701 -0.191 0.345 0.00 0.00 C+0
ATOM 6 H 0 1.044 -0.214 1.380 0.00 0.00 H+0
ATOM 7 O 0 1.545 -1.025 -0.451 0.00 0.00 O+0
ATOM 8 C 0 2.025 -2.065 0.404 0.00 0.00 C+0
ATOM 9 C 0 2.272 -3.330 -0.420 0.00 0.00 C+0
ATOM 10 C 0 0.942 -3.845 -0.975 0.00 0.00 C+0
ATOM 11 C 0 3.333 -1.621 1.061 0.00 0.00 C+0
ATOM 12 C 0 3.063 -0.430 1.983 0.00 0.00 C+0
ATOM 13 C 0 0.769 1.244 -0.181 0.00 0.00 C+0
ATOM 14 H 0 0.602 1.247 -1.258 0.00 0.00 H+0
ATOM 15 N 0 2.085 1.815 0.115 0.00 0.00 N+0
ATOM 16 C 0 3.117 1.598 -0.724 0.00 0.00 C+0
ATOM 17 C 0 4.471 2.186 -0.419 0.00 0.00 C+0
ATOM 18 O 0 2.957 0.930 -1.723 0.00 0.00 O+0
ATOM 19 C 0 -0.323 2.068 0.512 0.00 0.00 C+0
ATOM 20 H 0 -0.249 1.941 1.592 0.00 0.00 H+0
ATOM 21 N 0 -0.161 3.488 0.171 0.00 0.00 N+0
ATOM 22 C 0 -1.687 1.571 0.024 0.00 0.00 C+0
ATOM 23 O 0 -4.193 0.205 -0.044 0.00 0.00 O+0
ATOM 24 C 0 -5.503 -0.420 -0.093 0.00 0.00 C+0
ATOM 25 C 0 -6.576 0.658 -0.259 0.00 0.00 C+0
ATOM 26 H 0 -0.869 -1.767 0.343 0.00 0.00 H+0
ATOM 27 H 0 1.283 -2.272 1.175 0.00 0.00 H+0
ATOM 28 H 0 2.946 -3.101 -1.245 0.00 0.00 H+0
ATOM 29 H 0 2.721 -4.094 0.215 0.00 0.00 H+0
ATOM 30 H 0 0.268 -4.074 -0.149 0.00 0.00 H+0
ATOM 31 H 0 0.493 -3.080 -1.609 0.00 0.00 H+0
ATOM 32 H 0 1.118 -4.746 -1.562 0.00 0.00 H+0
ATOM 33 H 0 3.745 -2.445 1.644 0.00 0.00 H+0
ATOM 34 H 0 4.046 -1.328 0.290 0.00 0.00 H+0
ATOM 35 H 0 2.350 -0.722 2.754 0.00 0.00 H+0
ATOM 36 H 0 3.995 -0.114 2.451 0.00 0.00 H+0
ATOM 37 H 0 2.651 0.394 1.401 0.00 0.00 H+0
ATOM 38 H 0 2.213 2.349 0.914 0.00 0.00 H+0
ATOM 39 H 0 5.047 1.481 0.180 0.00 0.00 H+0
ATOM 40 H 0 4.999 2.386 -1.352 0.00 0.00 H+0
ATOM 41 H 0 4.347 3.117 0.134 0.00 0.00 H+0
ATOM 42 H 0 -0.898 3.986 0.647 0.00 0.00 H+0
ATOM 43 H 0 0.708 3.788 0.585 0.00 0.00 H+0
ATOM 44 H 0 -1.827 1.864 -1.017 0.00 0.00 H+0
ATOM 45 H 0 -2.473 2.018 0.632 0.00 0.00 H+0
ATOM 46 H 0 -5.546 -1.108 -0.937 0.00 0.00 H+0
ATOM 47 H 0 -5.678 -0.969 0.832 0.00 0.00 H+0
ATOM 48 H 0 -7.559 0.189 -0.296 0.00 0.00 H+0
ATOM 49 H 0 -6.533 1.346 0.585 0.00 0.00 H+0
ATOM 50 H 0 -6.400 1.206 -1.184 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 55
CONECT 2 1 3 23 0 NONE 56
CONECT 3 2 22 4 0 NONE 57
CONECT 4 3 5 26 0 NONE 58
CONECT 5 4 6 7 13 NONE 59
CONECT 7 5 8 0 0 NONE 60
CONECT 8 7 9 11 27 NONE 61
CONECT 9 8 10 28 29 NONE 62
CONECT 10 9 30 31 32 NONE 63
CONECT 11 8 12 33 34 NONE 64
CONECT 12 11 35 36 37 NONE 65
CONECT 13 5 14 15 19 NONE 66
CONECT 15 13 16 38 0 NONE 67
CONECT 16 15 17 18 0 NONE 68
CONECT 17 16 39 40 41 NONE 69
CONECT 18 16 0 0 0 NONE 70
CONECT 19 13 20 21 22 NONE 71
CONECT 21 19 42 43 0 NONE 72
CONECT 22 19 3 44 45 NONE 73
CONECT 23 2 24 0 0 NONE 74
CONECT 24 23 25 46 47 NONE 75
CONECT 25 24 48 49 50 NONE 76
END NONE 77
</inlineContents>
</jmolApplet>
</jmol>

It:Tamiflu

2006-12-04T18:28:25Z

Ahig05: realigned page

{{Drug-Box |
| Box_Name = Tamiflu
| ImageFile = Tamiflu.JPG
| IUPACName = (3R,4R,5S)-4-acetylamino-5-amino-3-
(1-ethylpropoxy)-1-cyclohexene-
1-carboxylic acid ethyl ester
| OtherName = Tamiflu
| CASNo = 196618-13-0
| ATC_Code = J05AH02
| PubChem = 65028
| SMILES = 'O=C(C1=C[C@@H](OC(CC)CC)
[C@H](NC(C)=O)[C@@H](N)C1)OCC'
| Formula = C<sub>16</sub>H<sub>28</sub>N<sub>2</sub>O<sub>4</sub>
| MolarMass = 312.4 g/mol
| Bioavailability = 75%
| Protein_binding = None
| Metabolism = hepatic, to GS4071
| Half_life = 6-10hours
| Excretion = renal (GS4071)
| Pregnancy_cat = B1, C
| Legal_status = -
| Routes = Oral
}}
==Introduction==
Tamiflu is an antiviral currently used to treat flu pandemic victims. It acts by inhibiting neuraminidase that lives on the flu virus cells. Tamiflu was developed by Gilead Sciences, and it is currently marketed by Roche.

[[image:tamiflu.gif|200px]]

==Structure==
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 04-Dec-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 04-Dec-06 0 NONE 4
ATOM 1 O 0 -3.189 -1.763 0.186 0.00 0.00 O+0
ATOM 2 C 0 -3.089 -0.555 0.098 0.00 0.00 C+0
ATOM 3 C 0 -1.763 0.077 0.142 0.00 0.00 C+0
ATOM 4 C 0 -0.709 -0.701 0.277 0.00 0.00 C+0
ATOM 5 C 0 0.701 -0.191 0.345 0.00 0.00 C+0
ATOM 6 H 0 1.044 -0.214 1.380 0.00 0.00 H+0
ATOM 7 O 0 1.545 -1.025 -0.451 0.00 0.00 O+0
ATOM 8 C 0 2.025 -2.065 0.404 0.00 0.00 C+0
ATOM 9 C 0 2.272 -3.330 -0.420 0.00 0.00 C+0
ATOM 10 C 0 0.942 -3.845 -0.975 0.00 0.00 C+0
ATOM 11 C 0 3.333 -1.621 1.061 0.00 0.00 C+0
ATOM 12 C 0 3.063 -0.430 1.983 0.00 0.00 C+0
ATOM 13 C 0 0.769 1.244 -0.181 0.00 0.00 C+0
ATOM 14 H 0 0.602 1.247 -1.258 0.00 0.00 H+0
ATOM 15 N 0 2.085 1.815 0.115 0.00 0.00 N+0
ATOM 16 C 0 3.117 1.598 -0.724 0.00 0.00 C+0
ATOM 17 C 0 4.471 2.186 -0.419 0.00 0.00 C+0
ATOM 18 O 0 2.957 0.930 -1.723 0.00 0.00 O+0
ATOM 19 C 0 -0.323 2.068 0.512 0.00 0.00 C+0
ATOM 20 H 0 -0.249 1.941 1.592 0.00 0.00 H+0
ATOM 21 N 0 -0.161 3.488 0.171 0.00 0.00 N+0
ATOM 22 C 0 -1.687 1.571 0.024 0.00 0.00 C+0
ATOM 23 O 0 -4.193 0.205 -0.044 0.00 0.00 O+0
ATOM 24 C 0 -5.503 -0.420 -0.093 0.00 0.00 C+0
ATOM 25 C 0 -6.576 0.658 -0.259 0.00 0.00 C+0
ATOM 26 H 0 -0.869 -1.767 0.343 0.00 0.00 H+0
ATOM 27 H 0 1.283 -2.272 1.175 0.00 0.00 H+0
ATOM 28 H 0 2.946 -3.101 -1.245 0.00 0.00 H+0
ATOM 29 H 0 2.721 -4.094 0.215 0.00 0.00 H+0
ATOM 30 H 0 0.268 -4.074 -0.149 0.00 0.00 H+0
ATOM 31 H 0 0.493 -3.080 -1.609 0.00 0.00 H+0
ATOM 32 H 0 1.118 -4.746 -1.562 0.00 0.00 H+0
ATOM 33 H 0 3.745 -2.445 1.644 0.00 0.00 H+0
ATOM 34 H 0 4.046 -1.328 0.290 0.00 0.00 H+0
ATOM 35 H 0 2.350 -0.722 2.754 0.00 0.00 H+0
ATOM 36 H 0 3.995 -0.114 2.451 0.00 0.00 H+0
ATOM 37 H 0 2.651 0.394 1.401 0.00 0.00 H+0
ATOM 38 H 0 2.213 2.349 0.914 0.00 0.00 H+0
ATOM 39 H 0 5.047 1.481 0.180 0.00 0.00 H+0
ATOM 40 H 0 4.999 2.386 -1.352 0.00 0.00 H+0
ATOM 41 H 0 4.347 3.117 0.134 0.00 0.00 H+0
ATOM 42 H 0 -0.898 3.986 0.647 0.00 0.00 H+0
ATOM 43 H 0 0.708 3.788 0.585 0.00 0.00 H+0
ATOM 44 H 0 -1.827 1.864 -1.017 0.00 0.00 H+0
ATOM 45 H 0 -2.473 2.018 0.632 0.00 0.00 H+0
ATOM 46 H 0 -5.546 -1.108 -0.937 0.00 0.00 H+0
ATOM 47 H 0 -5.678 -0.969 0.832 0.00 0.00 H+0
ATOM 48 H 0 -7.559 0.189 -0.296 0.00 0.00 H+0
ATOM 49 H 0 -6.533 1.346 0.585 0.00 0.00 H+0
ATOM 50 H 0 -6.400 1.206 -1.184 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 55
CONECT 2 1 3 23 0 NONE 56
CONECT 3 2 22 4 0 NONE 57
CONECT 4 3 5 26 0 NONE 58
CONECT 5 4 6 7 13 NONE 59
CONECT 7 5 8 0 0 NONE 60
CONECT 8 7 9 11 27 NONE 61
CONECT 9 8 10 28 29 NONE 62
CONECT 10 9 30 31 32 NONE 63
CONECT 11 8 12 33 34 NONE 64
CONECT 12 11 35 36 37 NONE 65
CONECT 13 5 14 15 19 NONE 66
CONECT 15 13 16 38 0 NONE 67
CONECT 16 15 17 18 0 NONE 68
CONECT 17 16 39 40 41 NONE 69
CONECT 18 16 0 0 0 NONE 70
CONECT 19 13 20 21 22 NONE 71
CONECT 21 19 42 43 0 NONE 72
CONECT 22 19 3 44 45 NONE 73
CONECT 23 2 24 0 0 NONE 74
CONECT 24 23 25 46 47 NONE 75
CONECT 25 24 48 49 50 NONE 76
END NONE 77
</inlineContents>
</jmolApplet>
</jmol>

It:Tamiflu

2006-12-04T18:27:45Z

Ahig05: /* Introduction */

{{Drug-Box |
| Box_Name = Tamiflu
| ImageFile = tamiflu.gif
| IUPACName = (3R,4R,5S)-4-acetylamino-5-amino-3-
(1-ethylpropoxy)-1-cyclohexene-
1-carboxylic acid ethyl ester
| OtherName = Tamiflu
| CASNo = 196618-13-0
| ATC_Code = J05AH02
| PubChem = 65028
| SMILES = 'O=C(C1=C[C@@H](OC(CC)CC)
[C@H](NC(C)=O)[C@@H](N)C1)OCC'
| Formula = C<sub>16</sub>H<sub>28</sub>N<sub>2</sub>O<sub>4</sub>
| MolarMass = 312.4 g/mol
| Bioavailability = 75%
| Protein_binding = None
| Metabolism = hepatic, to GS4071
| Half_life = 6-10hours
| Excretion = renal (GS4071)
| Pregnancy_cat = B1, C
| Legal_status = -
| Routes = Oral
}}
==Introduction==
Tamiflu is an antiviral currently used to treat flu pandemic victims. It acts by inhibiting neuraminidase that lives on the flu virus cells. Tamiflu was developed by Gilead Sciences, and it is currently marketed by Roche.

[[image:Tamiflu.JPG|200px]]

==Structure==
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 04-Dec-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 04-Dec-06 0 NONE 4
ATOM 1 O 0 -3.189 -1.763 0.186 0.00 0.00 O+0
ATOM 2 C 0 -3.089 -0.555 0.098 0.00 0.00 C+0
ATOM 3 C 0 -1.763 0.077 0.142 0.00 0.00 C+0
ATOM 4 C 0 -0.709 -0.701 0.277 0.00 0.00 C+0
ATOM 5 C 0 0.701 -0.191 0.345 0.00 0.00 C+0
ATOM 6 H 0 1.044 -0.214 1.380 0.00 0.00 H+0
ATOM 7 O 0 1.545 -1.025 -0.451 0.00 0.00 O+0
ATOM 8 C 0 2.025 -2.065 0.404 0.00 0.00 C+0
ATOM 9 C 0 2.272 -3.330 -0.420 0.00 0.00 C+0
ATOM 10 C 0 0.942 -3.845 -0.975 0.00 0.00 C+0
ATOM 11 C 0 3.333 -1.621 1.061 0.00 0.00 C+0
ATOM 12 C 0 3.063 -0.430 1.983 0.00 0.00 C+0
ATOM 13 C 0 0.769 1.244 -0.181 0.00 0.00 C+0
ATOM 14 H 0 0.602 1.247 -1.258 0.00 0.00 H+0
ATOM 15 N 0 2.085 1.815 0.115 0.00 0.00 N+0
ATOM 16 C 0 3.117 1.598 -0.724 0.00 0.00 C+0
ATOM 17 C 0 4.471 2.186 -0.419 0.00 0.00 C+0
ATOM 18 O 0 2.957 0.930 -1.723 0.00 0.00 O+0
ATOM 19 C 0 -0.323 2.068 0.512 0.00 0.00 C+0
ATOM 20 H 0 -0.249 1.941 1.592 0.00 0.00 H+0
ATOM 21 N 0 -0.161 3.488 0.171 0.00 0.00 N+0
ATOM 22 C 0 -1.687 1.571 0.024 0.00 0.00 C+0
ATOM 23 O 0 -4.193 0.205 -0.044 0.00 0.00 O+0
ATOM 24 C 0 -5.503 -0.420 -0.093 0.00 0.00 C+0
ATOM 25 C 0 -6.576 0.658 -0.259 0.00 0.00 C+0
ATOM 26 H 0 -0.869 -1.767 0.343 0.00 0.00 H+0
ATOM 27 H 0 1.283 -2.272 1.175 0.00 0.00 H+0
ATOM 28 H 0 2.946 -3.101 -1.245 0.00 0.00 H+0
ATOM 29 H 0 2.721 -4.094 0.215 0.00 0.00 H+0
ATOM 30 H 0 0.268 -4.074 -0.149 0.00 0.00 H+0
ATOM 31 H 0 0.493 -3.080 -1.609 0.00 0.00 H+0
ATOM 32 H 0 1.118 -4.746 -1.562 0.00 0.00 H+0
ATOM 33 H 0 3.745 -2.445 1.644 0.00 0.00 H+0
ATOM 34 H 0 4.046 -1.328 0.290 0.00 0.00 H+0
ATOM 35 H 0 2.350 -0.722 2.754 0.00 0.00 H+0
ATOM 36 H 0 3.995 -0.114 2.451 0.00 0.00 H+0
ATOM 37 H 0 2.651 0.394 1.401 0.00 0.00 H+0
ATOM 38 H 0 2.213 2.349 0.914 0.00 0.00 H+0
ATOM 39 H 0 5.047 1.481 0.180 0.00 0.00 H+0
ATOM 40 H 0 4.999 2.386 -1.352 0.00 0.00 H+0
ATOM 41 H 0 4.347 3.117 0.134 0.00 0.00 H+0
ATOM 42 H 0 -0.898 3.986 0.647 0.00 0.00 H+0
ATOM 43 H 0 0.708 3.788 0.585 0.00 0.00 H+0
ATOM 44 H 0 -1.827 1.864 -1.017 0.00 0.00 H+0
ATOM 45 H 0 -2.473 2.018 0.632 0.00 0.00 H+0
ATOM 46 H 0 -5.546 -1.108 -0.937 0.00 0.00 H+0
ATOM 47 H 0 -5.678 -0.969 0.832 0.00 0.00 H+0
ATOM 48 H 0 -7.559 0.189 -0.296 0.00 0.00 H+0
ATOM 49 H 0 -6.533 1.346 0.585 0.00 0.00 H+0
ATOM 50 H 0 -6.400 1.206 -1.184 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 55
CONECT 2 1 3 23 0 NONE 56
CONECT 3 2 22 4 0 NONE 57
CONECT 4 3 5 26 0 NONE 58
CONECT 5 4 6 7 13 NONE 59
CONECT 7 5 8 0 0 NONE 60
CONECT 8 7 9 11 27 NONE 61
CONECT 9 8 10 28 29 NONE 62
CONECT 10 9 30 31 32 NONE 63
CONECT 11 8 12 33 34 NONE 64
CONECT 12 11 35 36 37 NONE 65
CONECT 13 5 14 15 19 NONE 66
CONECT 15 13 16 38 0 NONE 67
CONECT 16 15 17 18 0 NONE 68
CONECT 17 16 39 40 41 NONE 69
CONECT 18 16 0 0 0 NONE 70
CONECT 19 13 20 21 22 NONE 71
CONECT 21 19 42 43 0 NONE 72
CONECT 22 19 3 44 45 NONE 73
CONECT 23 2 24 0 0 NONE 74
CONECT 24 23 25 46 47 NONE 75
CONECT 25 24 48 49 50 NONE 76
END NONE 77
</inlineContents>
</jmolApplet>
</jmol>

File:Tamiflu.JPG

2006-12-04T18:27:15Z

Ahig05: tamiflu picture

tamiflu picture

It:Tamiflu

2006-12-04T18:26:58Z

Ahig05: added picture

{{Drug-Box |
| Box_Name = Tamiflu
| ImageFile = tamiflu.gif
| IUPACName = (3R,4R,5S)-4-acetylamino-5-amino-3-
(1-ethylpropoxy)-1-cyclohexene-
1-carboxylic acid ethyl ester
| OtherName = Tamiflu
| CASNo = 196618-13-0
| ATC_Code = J05AH02
| PubChem = 65028
| SMILES = 'O=C(C1=C[C@@H](OC(CC)CC)
[C@H](NC(C)=O)[C@@H](N)C1)OCC'
| Formula = C<sub>16</sub>H<sub>28</sub>N<sub>2</sub>O<sub>4</sub>
| MolarMass = 312.4 g/mol
| Bioavailability = 75%
| Protein_binding = None
| Metabolism = hepatic, to GS4071
| Half_life = 6-10hours
| Excretion = renal (GS4071)
| Pregnancy_cat = B1, C
| Legal_status = -
| Routes = Oral
}}
==Introduction==
Tamiflu is an antiviral currently used to treat flu pandemic victims. It acts by inhibiting neuraminidase that lives on the flu virus cells. Tamiflu was developed by Gilead Sciences, and it is currently marketed by Roche. [[image:Tamiflu.JPG|200px]]

==Structure==
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 04-Dec-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 04-Dec-06 0 NONE 4
ATOM 1 O 0 -3.189 -1.763 0.186 0.00 0.00 O+0
ATOM 2 C 0 -3.089 -0.555 0.098 0.00 0.00 C+0
ATOM 3 C 0 -1.763 0.077 0.142 0.00 0.00 C+0
ATOM 4 C 0 -0.709 -0.701 0.277 0.00 0.00 C+0
ATOM 5 C 0 0.701 -0.191 0.345 0.00 0.00 C+0
ATOM 6 H 0 1.044 -0.214 1.380 0.00 0.00 H+0
ATOM 7 O 0 1.545 -1.025 -0.451 0.00 0.00 O+0
ATOM 8 C 0 2.025 -2.065 0.404 0.00 0.00 C+0
ATOM 9 C 0 2.272 -3.330 -0.420 0.00 0.00 C+0
ATOM 10 C 0 0.942 -3.845 -0.975 0.00 0.00 C+0
ATOM 11 C 0 3.333 -1.621 1.061 0.00 0.00 C+0
ATOM 12 C 0 3.063 -0.430 1.983 0.00 0.00 C+0
ATOM 13 C 0 0.769 1.244 -0.181 0.00 0.00 C+0
ATOM 14 H 0 0.602 1.247 -1.258 0.00 0.00 H+0
ATOM 15 N 0 2.085 1.815 0.115 0.00 0.00 N+0
ATOM 16 C 0 3.117 1.598 -0.724 0.00 0.00 C+0
ATOM 17 C 0 4.471 2.186 -0.419 0.00 0.00 C+0
ATOM 18 O 0 2.957 0.930 -1.723 0.00 0.00 O+0
ATOM 19 C 0 -0.323 2.068 0.512 0.00 0.00 C+0
ATOM 20 H 0 -0.249 1.941 1.592 0.00 0.00 H+0
ATOM 21 N 0 -0.161 3.488 0.171 0.00 0.00 N+0
ATOM 22 C 0 -1.687 1.571 0.024 0.00 0.00 C+0
ATOM 23 O 0 -4.193 0.205 -0.044 0.00 0.00 O+0
ATOM 24 C 0 -5.503 -0.420 -0.093 0.00 0.00 C+0
ATOM 25 C 0 -6.576 0.658 -0.259 0.00 0.00 C+0
ATOM 26 H 0 -0.869 -1.767 0.343 0.00 0.00 H+0
ATOM 27 H 0 1.283 -2.272 1.175 0.00 0.00 H+0
ATOM 28 H 0 2.946 -3.101 -1.245 0.00 0.00 H+0
ATOM 29 H 0 2.721 -4.094 0.215 0.00 0.00 H+0
ATOM 30 H 0 0.268 -4.074 -0.149 0.00 0.00 H+0
ATOM 31 H 0 0.493 -3.080 -1.609 0.00 0.00 H+0
ATOM 32 H 0 1.118 -4.746 -1.562 0.00 0.00 H+0
ATOM 33 H 0 3.745 -2.445 1.644 0.00 0.00 H+0
ATOM 34 H 0 4.046 -1.328 0.290 0.00 0.00 H+0
ATOM 35 H 0 2.350 -0.722 2.754 0.00 0.00 H+0
ATOM 36 H 0 3.995 -0.114 2.451 0.00 0.00 H+0
ATOM 37 H 0 2.651 0.394 1.401 0.00 0.00 H+0
ATOM 38 H 0 2.213 2.349 0.914 0.00 0.00 H+0
ATOM 39 H 0 5.047 1.481 0.180 0.00 0.00 H+0
ATOM 40 H 0 4.999 2.386 -1.352 0.00 0.00 H+0
ATOM 41 H 0 4.347 3.117 0.134 0.00 0.00 H+0
ATOM 42 H 0 -0.898 3.986 0.647 0.00 0.00 H+0
ATOM 43 H 0 0.708 3.788 0.585 0.00 0.00 H+0
ATOM 44 H 0 -1.827 1.864 -1.017 0.00 0.00 H+0
ATOM 45 H 0 -2.473 2.018 0.632 0.00 0.00 H+0
ATOM 46 H 0 -5.546 -1.108 -0.937 0.00 0.00 H+0
ATOM 47 H 0 -5.678 -0.969 0.832 0.00 0.00 H+0
ATOM 48 H 0 -7.559 0.189 -0.296 0.00 0.00 H+0
ATOM 49 H 0 -6.533 1.346 0.585 0.00 0.00 H+0
ATOM 50 H 0 -6.400 1.206 -1.184 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 55
CONECT 2 1 3 23 0 NONE 56
CONECT 3 2 22 4 0 NONE 57
CONECT 4 3 5 26 0 NONE 58
CONECT 5 4 6 7 13 NONE 59
CONECT 7 5 8 0 0 NONE 60
CONECT 8 7 9 11 27 NONE 61
CONECT 9 8 10 28 29 NONE 62
CONECT 10 9 30 31 32 NONE 63
CONECT 11 8 12 33 34 NONE 64
CONECT 12 11 35 36 37 NONE 65
CONECT 13 5 14 15 19 NONE 66
CONECT 15 13 16 38 0 NONE 67
CONECT 16 15 17 18 0 NONE 68
CONECT 17 16 39 40 41 NONE 69
CONECT 18 16 0 0 0 NONE 70
CONECT 19 13 20 21 22 NONE 71
CONECT 21 19 42 43 0 NONE 72
CONECT 22 19 3 44 45 NONE 73
CONECT 23 2 24 0 0 NONE 74
CONECT 24 23 25 46 47 NONE 75
CONECT 25 24 48 49 50 NONE 76
END NONE 77
</inlineContents>
</jmolApplet>
</jmol>

It:Tamiflu

2006-12-04T18:23:12Z

Ahig05: added introduction

{{Drug-Box |
| Box_Name = Tamiflu
| ImageFile = tamiflu.gif
| IUPACName = (3R,4R,5S)-4-acetylamino-5-amino-3-
(1-ethylpropoxy)-1-cyclohexene-
1-carboxylic acid ethyl ester
| OtherName = Tamiflu
| CASNo = 196618-13-0
| ATC_Code = J05AH02
| PubChem = 65028
| SMILES = 'O=C(C1=C[C@@H](OC(CC)CC)
[C@H](NC(C)=O)[C@@H](N)C1)OCC'
| Formula = C<sub>16</sub>H<sub>28</sub>N<sub>2</sub>O<sub>4</sub>
| MolarMass = 312.4 g/mol
| Bioavailability = 75%
| Protein_binding = None
| Metabolism = hepatic, to GS4071
| Half_life = 6-10hours
| Excretion = renal (GS4071)
| Pregnancy_cat = B1, C
| Legal_status = -
| Routes = Oral
}}
==Introduction==
Tamiflu is an antiviral currently used to treat flu pandemic victims. It acts by inhibiting neuraminidase that lives on the flu virus cells. Tamiflu was developed by Gilead Sciences, and it is currently marketed by Roche.

==Structure==
<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 04-Dec-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 04-Dec-06 0 NONE 4
ATOM 1 O 0 -3.189 -1.763 0.186 0.00 0.00 O+0
ATOM 2 C 0 -3.089 -0.555 0.098 0.00 0.00 C+0
ATOM 3 C 0 -1.763 0.077 0.142 0.00 0.00 C+0
ATOM 4 C 0 -0.709 -0.701 0.277 0.00 0.00 C+0
ATOM 5 C 0 0.701 -0.191 0.345 0.00 0.00 C+0
ATOM 6 H 0 1.044 -0.214 1.380 0.00 0.00 H+0
ATOM 7 O 0 1.545 -1.025 -0.451 0.00 0.00 O+0
ATOM 8 C 0 2.025 -2.065 0.404 0.00 0.00 C+0
ATOM 9 C 0 2.272 -3.330 -0.420 0.00 0.00 C+0
ATOM 10 C 0 0.942 -3.845 -0.975 0.00 0.00 C+0
ATOM 11 C 0 3.333 -1.621 1.061 0.00 0.00 C+0
ATOM 12 C 0 3.063 -0.430 1.983 0.00 0.00 C+0
ATOM 13 C 0 0.769 1.244 -0.181 0.00 0.00 C+0
ATOM 14 H 0 0.602 1.247 -1.258 0.00 0.00 H+0
ATOM 15 N 0 2.085 1.815 0.115 0.00 0.00 N+0
ATOM 16 C 0 3.117 1.598 -0.724 0.00 0.00 C+0
ATOM 17 C 0 4.471 2.186 -0.419 0.00 0.00 C+0
ATOM 18 O 0 2.957 0.930 -1.723 0.00 0.00 O+0
ATOM 19 C 0 -0.323 2.068 0.512 0.00 0.00 C+0
ATOM 20 H 0 -0.249 1.941 1.592 0.00 0.00 H+0
ATOM 21 N 0 -0.161 3.488 0.171 0.00 0.00 N+0
ATOM 22 C 0 -1.687 1.571 0.024 0.00 0.00 C+0
ATOM 23 O 0 -4.193 0.205 -0.044 0.00 0.00 O+0
ATOM 24 C 0 -5.503 -0.420 -0.093 0.00 0.00 C+0
ATOM 25 C 0 -6.576 0.658 -0.259 0.00 0.00 C+0
ATOM 26 H 0 -0.869 -1.767 0.343 0.00 0.00 H+0
ATOM 27 H 0 1.283 -2.272 1.175 0.00 0.00 H+0
ATOM 28 H 0 2.946 -3.101 -1.245 0.00 0.00 H+0
ATOM 29 H 0 2.721 -4.094 0.215 0.00 0.00 H+0
ATOM 30 H 0 0.268 -4.074 -0.149 0.00 0.00 H+0
ATOM 31 H 0 0.493 -3.080 -1.609 0.00 0.00 H+0
ATOM 32 H 0 1.118 -4.746 -1.562 0.00 0.00 H+0
ATOM 33 H 0 3.745 -2.445 1.644 0.00 0.00 H+0
ATOM 34 H 0 4.046 -1.328 0.290 0.00 0.00 H+0
ATOM 35 H 0 2.350 -0.722 2.754 0.00 0.00 H+0
ATOM 36 H 0 3.995 -0.114 2.451 0.00 0.00 H+0
ATOM 37 H 0 2.651 0.394 1.401 0.00 0.00 H+0
ATOM 38 H 0 2.213 2.349 0.914 0.00 0.00 H+0
ATOM 39 H 0 5.047 1.481 0.180 0.00 0.00 H+0
ATOM 40 H 0 4.999 2.386 -1.352 0.00 0.00 H+0
ATOM 41 H 0 4.347 3.117 0.134 0.00 0.00 H+0
ATOM 42 H 0 -0.898 3.986 0.647 0.00 0.00 H+0
ATOM 43 H 0 0.708 3.788 0.585 0.00 0.00 H+0
ATOM 44 H 0 -1.827 1.864 -1.017 0.00 0.00 H+0
ATOM 45 H 0 -2.473 2.018 0.632 0.00 0.00 H+0
ATOM 46 H 0 -5.546 -1.108 -0.937 0.00 0.00 H+0
ATOM 47 H 0 -5.678 -0.969 0.832 0.00 0.00 H+0
ATOM 48 H 0 -7.559 0.189 -0.296 0.00 0.00 H+0
ATOM 49 H 0 -6.533 1.346 0.585 0.00 0.00 H+0
ATOM 50 H 0 -6.400 1.206 -1.184 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 55
CONECT 2 1 3 23 0 NONE 56
CONECT 3 2 22 4 0 NONE 57
CONECT 4 3 5 26 0 NONE 58
CONECT 5 4 6 7 13 NONE 59
CONECT 7 5 8 0 0 NONE 60
CONECT 8 7 9 11 27 NONE 61
CONECT 9 8 10 28 29 NONE 62
CONECT 10 9 30 31 32 NONE 63
CONECT 11 8 12 33 34 NONE 64
CONECT 12 11 35 36 37 NONE 65
CONECT 13 5 14 15 19 NONE 66
CONECT 15 13 16 38 0 NONE 67
CONECT 16 15 17 18 0 NONE 68
CONECT 17 16 39 40 41 NONE 69
CONECT 18 16 0 0 0 NONE 70
CONECT 19 13 20 21 22 NONE 71
CONECT 21 19 42 43 0 NONE 72
CONECT 22 19 3 44 45 NONE 73
CONECT 23 2 24 0 0 NONE 74
CONECT 24 23 25 46 47 NONE 75
CONECT 25 24 48 49 50 NONE 76
END NONE 77
</inlineContents>
</jmolApplet>
</jmol>

It:Tamiflu

2006-12-04T18:20:29Z

Ahig05: added 3d structure

{{Drug-Box |
| Box_Name = Tamiflu
| ImageFile = tamiflu.gif
| IUPACName = (3R,4R,5S)-4-acetylamino-5-amino-3-
(1-ethylpropoxy)-1-cyclohexene-
1-carboxylic acid ethyl ester
| OtherName = Tamiflu
| CASNo = 196618-13-0
| ATC_Code = J05AH02
| PubChem = 65028
| SMILES = 'O=C(C1=C[C@@H](OC(CC)CC)
[C@H](NC(C)=O)[C@@H](N)C1)OCC'
| Formula = C<sub>16</sub>H<sub>28</sub>N<sub>2</sub>O<sub>4</sub>
| MolarMass = 312.4 g/mol
| Bioavailability = 75%
| Protein_binding = None
| Metabolism = hepatic, to GS4071
| Half_life = 6-10hours
| Excretion = renal (GS4071)
| Pregnancy_cat = B1, C
| Legal_status = -
| Routes = Oral
}}

<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 04-Dec-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 04-Dec-06 0 NONE 4
ATOM 1 O 0 -3.189 -1.763 0.186 0.00 0.00 O+0
ATOM 2 C 0 -3.089 -0.555 0.098 0.00 0.00 C+0
ATOM 3 C 0 -1.763 0.077 0.142 0.00 0.00 C+0
ATOM 4 C 0 -0.709 -0.701 0.277 0.00 0.00 C+0
ATOM 5 C 0 0.701 -0.191 0.345 0.00 0.00 C+0
ATOM 6 H 0 1.044 -0.214 1.380 0.00 0.00 H+0
ATOM 7 O 0 1.545 -1.025 -0.451 0.00 0.00 O+0
ATOM 8 C 0 2.025 -2.065 0.404 0.00 0.00 C+0
ATOM 9 C 0 2.272 -3.330 -0.420 0.00 0.00 C+0
ATOM 10 C 0 0.942 -3.845 -0.975 0.00 0.00 C+0
ATOM 11 C 0 3.333 -1.621 1.061 0.00 0.00 C+0
ATOM 12 C 0 3.063 -0.430 1.983 0.00 0.00 C+0
ATOM 13 C 0 0.769 1.244 -0.181 0.00 0.00 C+0
ATOM 14 H 0 0.602 1.247 -1.258 0.00 0.00 H+0
ATOM 15 N 0 2.085 1.815 0.115 0.00 0.00 N+0
ATOM 16 C 0 3.117 1.598 -0.724 0.00 0.00 C+0
ATOM 17 C 0 4.471 2.186 -0.419 0.00 0.00 C+0
ATOM 18 O 0 2.957 0.930 -1.723 0.00 0.00 O+0
ATOM 19 C 0 -0.323 2.068 0.512 0.00 0.00 C+0
ATOM 20 H 0 -0.249 1.941 1.592 0.00 0.00 H+0
ATOM 21 N 0 -0.161 3.488 0.171 0.00 0.00 N+0
ATOM 22 C 0 -1.687 1.571 0.024 0.00 0.00 C+0
ATOM 23 O 0 -4.193 0.205 -0.044 0.00 0.00 O+0
ATOM 24 C 0 -5.503 -0.420 -0.093 0.00 0.00 C+0
ATOM 25 C 0 -6.576 0.658 -0.259 0.00 0.00 C+0
ATOM 26 H 0 -0.869 -1.767 0.343 0.00 0.00 H+0
ATOM 27 H 0 1.283 -2.272 1.175 0.00 0.00 H+0
ATOM 28 H 0 2.946 -3.101 -1.245 0.00 0.00 H+0
ATOM 29 H 0 2.721 -4.094 0.215 0.00 0.00 H+0
ATOM 30 H 0 0.268 -4.074 -0.149 0.00 0.00 H+0
ATOM 31 H 0 0.493 -3.080 -1.609 0.00 0.00 H+0
ATOM 32 H 0 1.118 -4.746 -1.562 0.00 0.00 H+0
ATOM 33 H 0 3.745 -2.445 1.644 0.00 0.00 H+0
ATOM 34 H 0 4.046 -1.328 0.290 0.00 0.00 H+0
ATOM 35 H 0 2.350 -0.722 2.754 0.00 0.00 H+0
ATOM 36 H 0 3.995 -0.114 2.451 0.00 0.00 H+0
ATOM 37 H 0 2.651 0.394 1.401 0.00 0.00 H+0
ATOM 38 H 0 2.213 2.349 0.914 0.00 0.00 H+0
ATOM 39 H 0 5.047 1.481 0.180 0.00 0.00 H+0
ATOM 40 H 0 4.999 2.386 -1.352 0.00 0.00 H+0
ATOM 41 H 0 4.347 3.117 0.134 0.00 0.00 H+0
ATOM 42 H 0 -0.898 3.986 0.647 0.00 0.00 H+0
ATOM 43 H 0 0.708 3.788 0.585 0.00 0.00 H+0
ATOM 44 H 0 -1.827 1.864 -1.017 0.00 0.00 H+0
ATOM 45 H 0 -2.473 2.018 0.632 0.00 0.00 H+0
ATOM 46 H 0 -5.546 -1.108 -0.937 0.00 0.00 H+0
ATOM 47 H 0 -5.678 -0.969 0.832 0.00 0.00 H+0
ATOM 48 H 0 -7.559 0.189 -0.296 0.00 0.00 H+0
ATOM 49 H 0 -6.533 1.346 0.585 0.00 0.00 H+0
ATOM 50 H 0 -6.400 1.206 -1.184 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 55
CONECT 2 1 3 23 0 NONE 56
CONECT 3 2 22 4 0 NONE 57
CONECT 4 3 5 26 0 NONE 58
CONECT 5 4 6 7 13 NONE 59
CONECT 7 5 8 0 0 NONE 60
CONECT 8 7 9 11 27 NONE 61
CONECT 9 8 10 28 29 NONE 62
CONECT 10 9 30 31 32 NONE 63
CONECT 11 8 12 33 34 NONE 64
CONECT 12 11 35 36 37 NONE 65
CONECT 13 5 14 15 19 NONE 66
CONECT 15 13 16 38 0 NONE 67
CONECT 16 15 17 18 0 NONE 68
CONECT 17 16 39 40 41 NONE 69
CONECT 18 16 0 0 0 NONE 70
CONECT 19 13 20 21 22 NONE 71
CONECT 21 19 42 43 0 NONE 72
CONECT 22 19 3 44 45 NONE 73
CONECT 23 2 24 0 0 NONE 74
CONECT 24 23 25 46 47 NONE 75
CONECT 25 24 48 49 50 NONE 76
END NONE 77
</inlineContents>
</jmolApplet>
</jmol>

It:Tamiflu

2006-12-04T18:17:31Z

Ahig05: completed drug box

File:Tamiflu.gif

2006-12-04T18:14:33Z

Ahig05: tamiflu molecule

tamiflu molecule

It:Tamiflu

2006-12-04T18:14:12Z

Ahig05: Added drug box

It:projects

2006-12-04T18:05:46Z

Ahig05: /* Supplemental Project Page */

__FORCETOC__

'''''You MUST use the Edit buttons on the right to edit this content. Do NOT use the Edit button on the top of this page.'''''
== Sandbox (Play-Pen) ==

This is an area where you can play without worrying what you do. Enter it by pressing the [Edit] button '''on the right''' and '''not''' at the top. Go here for a [http://en.wikipedia.org/wiki/Wikipedia:Cheatsheet ''cheat sheet''] summary of how to create a Wiki page. It's a free-for-all in here! Learn how to use a Wiki by coming here! PS This is how to do Greek: Α, α, β Δ, δ
Try copying/pasting some of the [http://www.ch.ic.ac.uk/local/it/lab1.html examples in the course work] into this page. See the effect by selecting '''Show Preview'''. No not use '''Save Page''' so as to leave this area uncluttered for others.
----
{|
|NEW: This demonstrates the use of Jmol loading discrete molecule files (rather than having to paste them into the wiki page). Upload the molecule file, and invoke it as shown here. Use it for eg loading large proteins etc. Sorry about the delay in getting this working, but the cause was pretty unobvious.--[[User:Rzepa|Rzepa]] 16:07, 4 December 2006 (UTC)
<center><jmol>
<jmolApplet>
<title>Pentahelicene</title><color>yellow</color>
<uploadedFileContents>Pentahelicene.mol</uploadedFileContents>
</jmolApplet>
<jmolMenu>
<item><text>Start spinning</text><script>spin on</script></item>
<item><text>Stop spinning</text><script>spin off</script></item>
<menuHeight>-1</menuHeight>
</jmolMenu>
<jmolButton>
<script>console</script>
<text>open a console window</text>
</jmolButton>
</jmol></center>
-----
<center><jmol><jmolAppletButton><title>Show Pentahelicene in popup window</title><color>cyan</color>
<uploadedFileContents>Pentahelicene.mol</uploadedFileContents></jmolAppletButton>
</jmol></center>

== Main Project Page ==
'''Please do not edit this page itself'''. Click on one of the titles to start editing.
{| summary="CIT Project Titles" border="1"
! bgcolor="cyan" |Project<br /> Number
! bgcolor="cyan" |General Keywords
|-
| bgcolor="#CCFF00" |01
| bgcolor="#CCFF00" | [[it:Lignocaine|Lignocaine (used in dentistry as a "local")]]
|-
| bgcolor="#CCFF00" |02
| bgcolor="#66FF99" | [[it:Piperine|Piperine (active ingredient of both black and white pepper)]]
|-
| bgcolor="#CCFF00" |03
| bgcolor="#CCFF00" | [[it:Rapamycin|Rapamycin (prevents transplant rejection)]]
|-
| bgcolor="#CCFF00" |04
| bgcolor="#66FF99" | [[it:Gossypol|Gossypol (male birth control)]]
|-
| bgcolor="#CCFF00" |05
| bgcolor="#CCFF00" | [[it:Gentamycin|Gentamicin A (aminoglycoside antibiotic)]]
|-
| bgcolor="#CCFF00" |06
| bgcolor="#66FF99" | [[it:Herceptin|Herceptin (topical anticancer drug)]]
|-
| bgcolor="#CCFF00" |07
| bgcolor="#CCFF00" | [[it:Gingerone|Zingerone (the characteristic smell of ginger)]]
|-
| bgcolor="#CCFF00" |08
| bgcolor="#66FF99" | [[it:Sucralose|Sucralose (non-metabolizable sweetening agent)]]
|-
| bgcolor="#CCFF00" |09
| bgcolor="#CCFF00" | [[it:Bufotoxin|Bufotoxin (active component of the toad ''Bufo vulgaris'')]]
|-
| bgcolor="#CCFF00" |10
| bgcolor="#66FF99" | [[it:Roaccutane|Roaccutane (treatment for severe acne)]]
|-
| bgcolor="#CCFF00" |11
| bgcolor="#CCFF00" | [[it:Sibutramine|Sibutramine (appetite suppresor)]]
|-
| bgcolor="#CCFF00" |12
| bgcolor="#66FF99" | [[it:Anandamide|Anandamide (the "feel-good" factor in chocolate)]]
|-
| bgcolor="#CCFF00" |13
| bgcolor="#CCFF00" | [[it:h3nbh3|Ammonia-borane: H<sub>3</sub>N-BH<sub>3</sub> (Hydrogen storage molecule?)]]
|-
| bgcolor="#CCFF00" |14
| bgcolor="#66FF99" | [[it:Methoxsalen|Methoxsalen (Treatment of psoriasis)]]
|-
| bgcolor="#CCFF00" |15
| bgcolor="#CCFF00" | [[it:Hycocine|Hyoscine (From Mandrake and Witches Henbane, pre-med before surgery)]]
|-
| bgcolor="#CCFF00" |16
| bgcolor="#66FF99" | [[it:Capreomycin|Capreomycin (Drug-resistant TB)]]
|-
| bgcolor="#CCFF00" |17
| bgcolor="#CCFF00" | [[it:wilkinson|Wilkinson's catalyst]]
|-
| bgcolor="#CCFF00" |18
| bgcolor="#66FF99" | [[it:Jacobsen|Jacobsen's epoxidation catalyst]]
|-
| bgcolor="#CCFF00" |19
| bgcolor="#CCFF00" | [[it:Methylaluminoxane|Methylaluminoxane: MAO - hugely important ethylene polymerisation cocatalyst]]
|-
| bgcolor="#CCFF00" |20
| bgcolor="#66FF99" | [[it:Schwartz|Schwartz reagent for the hydrozirconation of alkenes and alkynes]]
|-
| bgcolor="#CCFF00" |21
| bgcolor="#CCFF00" | [[it:Schrock|Schrock metathesis catalyst]]
|-
| bgcolor="#CCFF00" |22
| bgcolor="#66FF99" | [[it:knots|Molecular-scale knots (nanoscale devices)]]
|-
|bgcolor="#CCFF00" |23
| bgcolor="#CCFF00" | [[it:Vioxx|Vioxx (treatment of osteoarthritis symptoms and pain)]]
|-
| bgcolor="#CCFF00" |24
| bgcolor="#66FF99" | [[it:Sertraline|Sertraline HCl (anti-depression)]]
|-
| bgcolor="#CCFF00" |25
| bgcolor="#CCFF00" | [[it:Ceftriaxone|Ceftriaxone (Gonorrhoea)]]
|-
| bgcolor="#CCFF00" |26
| bgcolor="#66FF99" | [[it:Zithromycin|Zithromycin (anti-infective)]]
|-
| bgcolor="#CCFF00" |27
| bgcolor="#CCFF00" | [[it:Lipitor|Lipitor (Cholesterol reducing agent)]]
|-
| bgcolor="#CCFF00" |28
| bgcolor="#66FF99" | [[it:Cyameluric Acid|Cyameluric acid (Linus Pauling's last idea!)]]
|}

== Supplemental Project Page ==

This area is for people who wish to create their own projects if none of the above appeal to them. Click on the '''Edit''' button to the right to open up an editable page,
then add an entry below as follows

*<nowiki> [[it:name_of_project|Descriptive name of intended project]]</nowiki>
*This will produce the effect: [[it:name_of_project|Descriptive name of intended project]]
----
*[[it:sitagliptin_page|Sitagliptin]]
*[[it:Retinal|Retinal, molecule of sight]]
*[[it:Tamoxifen|Tamoxifen, breast cancer treatment]]
*[[it:Morphine|Morphine, painkiller]]
*[[it:Pelargonidin|Pelargonidin, colouring in nature]]
*[[it:Propanil|Propanil, weedkiller]]
*[[it:Ranitidine|Ranitidine, antiulcerative]]
*[[it:chlorphentermine|chlorphentermine, anorectic]]
*[[it:Serotonin|Serotonin, The 'HAPPY' Drug]]
*[[it:Amphidinolide T1|Amphidinolide T1]]
*[[it:Rosiglitazone|Rosiglitazone, drug that is currently used to treat diabetes.]]
*[[it:Furosemide|Furosemide]]
*[[it:Tryptophan|Tryptophan]]
*[[it:methylpentynol|methylpentynol, tranquilliser.]]
*[[it:Ferrocene|Ferrocene]]
*[[it:Scopolamine|Scopolamine, the (Former) Truth Drug]]
*[[it:Camptothecin|Camptothecin,Anti-cancer agent ]]
*[[it:Salmeterol|Salmeterol, an agonist used to treat asthma]]
*[[it:Psilocin|Psilocin]]
*[[it:Epibatidine|Epibatidine]]
*[[it:Beta Carotene|Beta Carotene]]
*[[it:Thyroxine|Thyroxine, the Thyroid Hormone]]
*[[it:Tetrahydrocannabinol|Tetrahydrocannabinol]]
*[[it:Linalool|Linalool(A component of essential oil)]]
*[[it:Dihydroartemisinin| Dihydroartemisinin, An Active Anti-Malarial]]
*[[it:Acrolein|Acrolein]]
*[[it:Cinnamaldehyde|Cinnamaldehyde: The smell and taste in the spice cinnamon]]
*[[it:Melatonin|Melatonin: The All-Natural Nightcap]]
*[[it:Benzylpiperazine|Benzylpiperazine (BZP): Party Pills]]
*[[it:Vanillin|Vanillin, flavouring used in food]]
*[[it:Gingerol|Gingerol, precursor of Zingerone]]
*[[it:MSG|MSG; because everyone loves the flavour]]
*[[it:DDT|DDT, Pesticide]]
*[[it:Oseltamivir|Oseltamivir, neuraminidase inhibitor]]
*[[it:Caffeine|Caffeine]]
*[[it:Fullerene]]
*[[it:Histrionicotoxin]]
*[[it:limonene]]
*[[it:Capsanthin]]
*[[it:Safrole|Safrole: A formerly popular food and drinks additive]]
*[[it:Adenosine_Triphosphate|Adenosine Triphosphate (ATP), Energy source in muscles]]
*[[it:Aspartame|Aspartame: Artificial sweetener]]
*[[it:Astemizole|Astemizole:non-sedating anti-histamine]]
*[[it:Flucloxacillin|Flucloxacillin:antibiotic]]
*[[it:Quinine|Quinine: The Perfect Tonic for Any Fever]]
*[[it:Caramel|Caramel]]
*[[it:Azithromycin|Azythromycin]]
*[[it:Artemisinin|Artemisinin: An antimalarial drug]]
*[[it:Bradykinin|Bradykinin]]
*[[it:Carminic_acid|Carminic acid, Red colouring agent]]
*[[it:Oxytocin|Oxytocin: The Hormone of Love]]
*[[it:Carmoisine|Carmoisine]]
*[[it:Ziegler-Natta|Ziegler-Natta]]
*[[it:Cyclamate|Cyclamate]]
*[[it:Polyurethane|Polyurethane]]
*[[it:sexithiophene|sexithiophene]]
*[[it:Polydimethylsiloxane|Polydimethylsiloxane: Silicon-based organic polymer]]
*[[it:Lycopene|Lycopene: the red antioxidant molecule]]
*[[it:Mustard Gas|Mustard Gas]]
*[[it:Saxitoxin|Shellfish Poison]]
*[[it:Luminol|Luminol: Chemiluminescence Reactions]]
*[[it:Tumor Necrosis Factor|Tumour Necrosis Factor]]
*[[it:Tamiflu|Tamiflu: Antiviral]]

== [[Special:Export|Export Pages]] ==

This takes you to an '''Export''' page. A backup of the Projects area can be made (in XML) if you want to keep your own ''snapshot'' of the project pages at any instant. After you Export the page you want (ie '''It:projects''' or '''It:Lignocaine''' for example) the XML encoding of it will appear in your browser Window. You should '''view source''' for this material, copy it to a text editor, and thence save it to disk.

== Overlaps ==

If someone else starts editing a page at the same time as you, the system will detect this and offer alternatives for you to deal with. For example, it may suggest you copy the contents of the page you have been editing and merge it into the other person's page,
so that both the sets of edits are preserved. Read the on-screen instructions carefully!

Another precaution you could take is to keep a copy of the contents of the page you are editing in eg Wordpad (or Word),
make the changes there, and then copy the entire lot to the Wiki page to preview and then save. That way, if your contribution
is overlapped by someone else, you will still have a copy, and you can then resubmit it.
----
--[[User:Rzepa|Rzepa]] 12:25, 19 October 2006 (BST)--[[User:Rzepa|Rzepa]] 08:31, 5 November 2006 (UTC)

== Wiki Utillities ==
Utilities have been written to help the conversion of material from HTML.

# [http://diberri.dyndns.org/wikipedia/html2wiki/ A HTML2Wiki Converter]

No wiki2html converter suitable for use has yet been identified.
=== Wiki Templates ===

[[Template:DOI]] and [[Template:Doi-inline]] are providea as (protected) templates for your use. Many other templates exist, often to be found on e.g. Wikipedia pages. You may decide one of these is of particular use, or of interest. If so, you can install it on the wiki here for you and others to use. Add below a line that looks like {{template-name|parameter}}, save, and click on the red text to create the new template. If you prefer the task of adding useful templates to that of adding information about molecules, then you will be given full credit for performing this valuable service for others!
--[[User:Rzepa|Rzepa]] 14:41, 20 October 2006 (BST)

----
[[Template:Chem-Data]]

[[Template:Drug-Box]] - For pharmaceutical drugs just copy variable names and code generates tables

[[Template:Chembox supplement]] - to be linked to from the supplementary section of the table in the template above, for usage see [[Template_talk:chembox_supplement|here]]

[[Template:NFPA_704]] - for notes on how to use, see [[Template_talk:NFPA_704|here]]

[[R & S Phrases]]

It:Adenosine Triphosphate

2006-12-01T15:15:25Z

Ahig05:

== Adenosine Triphosphate ==

Adenosine Triphosphate (ATP) (C<sub>10</sub>H<sub>16</sub>O<sub>13</sub>N<sub>5</sub>P<sub>3</sub>) is found in muscles as an energy source.

==Structure==
ATP consists of adenosine(made up of an adenine ring and a ribose sugar)and three phosphate groups.

[[image:ATP.gif|400px]]

<jmol>
<jmolApplet>
<size>400</size>
<color>white</color>
<script>zoom 100; ball and stick on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>ATP
WLViewer 3D 0

47 49 0 0 0 0 0 0 0 0999 V2000
16.1747 10.9080 1.0502 O 0 0 0 0 0 0 0 0 0 1
16.7822 11.4116 -0.1410 C 0 0 1 0 0 0 0 0 0 2
16.7113 12.9698 0.0421 C 0 0 2 0 0 0 0 0 0 3
18.3293 11.3438 -0.3596 C 0 0 2 0 0 0 0 0 0 4
15.4658 13.7093 -0.2516 N 0 0 0 0 0 0 0 0 0 5
17.8685 13.4980 -0.5005 O 0 0 0 0 0 0 0 0 0 6
18.9325 10.0708 -0.0836 O 0 0 0 0 0 0 0 0 0 7
18.8276 12.6051 0.2345 C 0 0 1 0 0 0 0 0 0 8
14.1141 13.3654 -0.0335 C 0 0 0 0 0 0 0 0 0 9
15.4356 15.1538 -0.4027 C 0 0 0 0 0 0 0 0 0 10
20.2497 13.0230 -0.1354 C 0 0 0 0 0 0 0 0 0 11
13.4069 14.4547 -0.1715 C 0 0 0 0 0 0 0 0 0 12
13.5235 12.1529 0.2765 N 0 0 0 0 0 0 0 0 0 13
14.2179 15.5540 -0.4153 N 0 0 0 0 0 0 0 0 0 14
21.2662 12.2003 0.3684 O 0 0 0 0 0 0 0 0 0 15
11.9938 14.4415 -0.0254 C 0 0 0 0 0 0 0 0 0 16
12.2450 12.1294 0.4069 C 0 0 0 0 0 0 0 0 0 17
22.5617 12.9741 0.1738 P 0 0 1 0 0 0 0 0 0 18
11.2273 15.6441 -0.1751 N 0 0 0 0 0 0 0 0 0 19
11.4431 13.3248 0.2475 N 0 0 0 0 0 0 0 0 0 20
23.7685 12.0688 -0.0441 O 0 0 0 0 0 0 0 0 0 21
22.4462 13.9489 -0.7426 O 0 0 0 0 0 0 0 0 0 22
22.8783 13.7620 1.4187 O 0 0 0 0 0 0 0 0 0 23
25.1314 12.8088 -0.0644 P 0 0 1 0 0 0 0 0 0 24
25.0619 14.3488 -0.0444 O 0 0 0 0 0 0 0 0 0 25
25.8441 12.3892 0.9932 O 0 0 0 0 0 0 0 0 0 26
26.0476 12.2764 -1.1401 O 0 0 0 0 0 0 0 0 0 27
26.4367 15.0409 -0.1381 P 0 0 0 0 0 0 0 0 0 28
27.1540 14.5246 -1.1463 O 0 0 0 0 0 0 0 0 0 29
26.2857 16.5363 -0.2585 O 0 0 0 0 0 0 0 0 0 30
27.2314 14.6905 1.0941 O 0 0 0 0 0 0 0 0 0 31
16.1726 9.9083 1.0270 H 0 0 0 0 0 0 0 0 0 0
16.3239 10.8849 -0.8569 H 0 0 0 0 0 0 0 0 0 0
16.6567 13.1231 1.0287 H 0 0 0 0 0 0 0 0 0 0
18.6315 11.3329 -1.3128 H 0 0 0 0 0 0 0 0 0 0
19.9169 10.1246 -0.2507 H 0 0 0 0 0 0 0 0 0 0
18.8664 12.5909 1.2336 H 0 0 0 0 0 0 0 0 0 0
16.2391 15.7436 -0.4840 H 0 0 0 0 0 0 0 0 0 0
20.3209 13.0263 -1.1329 H 0 0 0 0 0 0 0 0 0 0
20.4001 13.9482 0.2130 H 0 0 0 0 0 0 0 0 0 0
11.7929 11.2642 0.6237 H 0 0 0 0 0 0 0 0 0 0
10.2332 15.6199 -0.0695 H 0 0 0 0 0 0 0 0 0 0
11.6869 16.5070 -0.3852 H 0 0 0 0 0 0 0 0 0 0
23.7301 14.2685 1.2856 H 0 0 0 0 0 0 0 0 0 0
26.9126 12.7778 -1.1201 H 0 0 0 0 0 0 0 0 0 0
27.1898 16.9594 -0.3175 H 0 0 0 0 0 0 0 0 0 0
28.1277 15.1318 1.0499 H 0 0 0 0 0 0 0 0 0 0
2 1 1 1 0 0
2 3 1 0 0 0
2 4 1 0 0 0
3 5 1 6 0 0
3 6 1 0 0 0
4 7 1 1 0 0
4 8 1 0 0 0
5 9 1 0 0 0
5 10 1 0 0 0
6 8 1 0 0 0
8 11 1 6 0 0
9 12 2 0 0 0
9 13 1 0 0 0
10 14 2 0 0 0
11 15 1 0 0 0
12 14 1 0 0 0
12 16 1 0 0 0
13 17 2 0 0 0
15 18 1 0 0 0
16 19 1 0 0 0
16 20 2 0 0 0
17 20 1 0 0 0
18 21 1 0 0 0
18 22 2 0 0 0
18 23 1 0 0 0
21 24 1 0 0 0
24 25 1 0 0 0
24 26 2 0 0 0
24 27 1 0 0 0
25 28 1 0 0 0
28 29 2 0 0 0
28 30 1 0 0 0
28 31 1 0 0 0
1 32 1 0 0 0
2 33 1 0 0 0
3 34 1 0 0 0
4 35 1 0 0 0
7 36 1 0 0 0
8 37 1 0 0 0
10 38 1 0 0 0
11 39 1 0 0 0
11 40 1 0 0 0
17 41 1 0 0 0
19 42 1 0 0 0
19 43 1 0 0 0
23 44 1 0 0 0
27 45 1 0 0 0
30 46 1 0 0 0
31 47 1 0 0 0
M END</inlineContents>
</jmolApplet>
</jmol>

==Working Principles of ATP==
Adenosine Triphospate is made up of 3 phosphate groups. When the third phosphate group of ATP is removed by hydrolysis, energy is released. This amount is relatively large, and easily accessible in biological terms. As such, the bond between the last and second phosphate group is known as a "high energy" bond.

==Advantages of using ATP==
The body uses ATP as a convenient source of energy as the energy released during the hydrolysis of ATP into ADP is sufficient to "power" most cellular reactions. Direct hydrolysis of a glucose molecule produces too much energy and would be a waste. Glucose molecules are also too large compared to the small and portable ATP packets.

==ATP in respiration==
In the Kreb's Cycle, full oxidation of a single glucose molecule can produce up to 30 units of ATP for use. This involves the use of complex electron transfer chains within membranes of respiratory organelles such as mitochondria. This processes involve the use of coenzymes such as NAD, NADPH, as well as Acetyl Coenzyme A (Acetyl CoA) in oxidative phosphorylation where ADP is converted back into ATP.

It:Beta Carotene

2006-12-01T15:05:40Z

Ahig05: added m

==General Information==
Beta-carotene belongs to a family of natural chemicals known as carotenes which is widely found in plants, fruits and vegetables which are orange red in colour.

Beta-carotene is used by the body to make retinol, which is required for healthy vision. As excessive amounts of dietary vitamin A is toxic, beta carotene is a safer supplement because the body will only convert the need amounts of carotene into vitamin A, thus not poisoning the body. Beta-carotene is an antioxidant and protects the body by reacting with free radicals to prevent oxidation.

Beta-carotene is also used to treat sun sensitivity and Scleroderma. However, people are known to suffer from side effects when taking excessive amounts of beta-carotene. These effects include skin discolouration, bruising and joint pains.

== '''Structure of Beta Carotene''' ==

=== '''3D Sructure''' ===
<jmol>
<jmolApplet>
<size>300</size>
<color>black</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>
HEADER NONAME 30-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 30-Oct-06 0 NONE 4
ATOM 1 C 0 -11.746 -1.374 1.712 0.00 0.00 C+0
ATOM 2 C 0 -12.430 -0.642 0.556 0.00 0.00 C+0
ATOM 3 C 0 -13.083 -1.665 -0.377 0.00 0.00 C+0
ATOM 4 C 0 -13.505 0.294 1.113 0.00 0.00 C+0
ATOM 5 C 0 -14.003 1.195 -0.024 0.00 0.00 C+0
ATOM 6 C 0 -12.872 2.147 -0.421 0.00 0.00 C+0
ATOM 7 C 0 -11.604 1.377 -0.646 0.00 0.00 C+0
ATOM 8 C 0 -10.492 2.047 -1.412 0.00 0.00 C+0
ATOM 9 C 0 -11.407 0.146 -0.209 0.00 0.00 C+0
ATOM 10 C 0 -10.159 -0.469 -0.480 0.00 0.00 C+0
ATOM 11 C 0 -9.007 0.119 -0.062 0.00 0.00 C+0
ATOM 12 C 0 -7.768 -0.472 -0.362 0.00 0.00 C+0
ATOM 13 C 0 -7.716 -1.758 -1.147 0.00 0.00 C+0
ATOM 14 C 0 -6.610 0.118 0.057 0.00 0.00 C+0
ATOM 15 C 0 -5.373 -0.430 -0.306 0.00 0.00 C+0
ATOM 16 C 0 -4.208 0.103 0.201 0.00 0.00 C+0
ATOM 17 C 0 -2.972 -0.444 -0.162 0.00 0.00 C+0
ATOM 18 C 0 -2.915 -1.617 -1.106 0.00 0.00 C+0
ATOM 19 C 0 -1.806 0.090 0.345 0.00 0.00 C+0
ATOM 20 C 0 -0.568 -0.377 -0.108 0.00 0.00 C+0
ATOM 21 C 0 0.596 0.084 0.470 0.00 0.00 C+0
ATOM 22 C 0 1.834 -0.383 0.016 0.00 0.00 C+0
ATOM 23 C 0 2.998 0.078 0.594 0.00 0.00 C+0
ATOM 24 C 0 2.936 1.085 1.714 0.00 0.00 C+0
ATOM 25 C 0 4.237 -0.389 0.140 0.00 0.00 C+0
ATOM 26 C 0 5.401 0.147 0.644 0.00 0.00 C+0
ATOM 27 C 0 6.638 -0.236 0.108 0.00 0.00 C+0
ATOM 28 C 0 7.792 0.296 0.607 0.00 0.00 C+0
ATOM 29 C 0 7.737 1.294 1.735 0.00 0.00 C+0
ATOM 30 C 0 9.033 -0.088 0.069 0.00 0.00 C+0
ATOM 31 C 0 10.178 0.488 0.522 0.00 0.00 C+0
ATOM 32 C 0 11.434 0.047 0.035 0.00 0.00 C+0
ATOM 33 C 0 11.754 -1.226 0.197 0.00 0.00 C+0
ATOM 34 C 0 10.759 -2.128 0.880 0.00 0.00 C+0
ATOM 35 C 0 13.053 -1.823 -0.262 0.00 0.00 C+0
ATOM 36 C 0 13.726 -0.900 -1.280 0.00 0.00 C+0
ATOM 37 C 0 13.759 0.520 -0.703 0.00 0.00 C+0
ATOM 38 C 0 12.323 1.050 -0.640 0.00 0.00 C+0
ATOM 39 C 0 11.818 1.314 -2.060 0.00 0.00 C+0
ATOM 40 C 0 12.299 2.357 0.155 0.00 0.00 C+0
ATOM 41 H 0 -11.050 -2.112 1.314 0.00 0.00 H+0
ATOM 42 H 0 -11.203 -0.656 2.326 0.00 0.00 H+0
ATOM 43 H 0 -12.499 -1.876 2.321 0.00 0.00 H+0
ATOM 44 H 0 -13.823 -2.242 0.178 0.00 0.00 H+0
ATOM 45 H 0 -13.571 -1.146 -1.201 0.00 0.00 H+0
ATOM 46 H 0 -12.320 -2.336 -0.771 0.00 0.00 H+0
ATOM 47 H 0 -14.335 -0.293 1.505 0.00 0.00 H+0
ATOM 48 H 0 -13.080 0.908 1.907 0.00 0.00 H+0
ATOM 49 H 0 -14.283 0.582 -0.881 0.00 0.00 H+0
ATOM 50 H 0 -14.864 1.771 0.315 0.00 0.00 H+0
ATOM 51 H 0 -13.145 2.670 -1.337 0.00 0.00 H+0
ATOM 52 H 0 -12.717 2.875 0.375 0.00 0.00 H+0
ATOM 53 H 0 -10.821 3.032 -1.744 0.00 0.00 H+0
ATOM 54 H 0 -9.620 2.153 -0.767 0.00 0.00 H+0
ATOM 55 H 0 -10.231 1.440 -2.279 0.00 0.00 H+0
ATOM 56 H 0 -10.124 -1.404 -1.018 0.00 0.00 H+0
ATOM 57 H 0 -9.044 1.040 0.500 0.00 0.00 H+0
ATOM 58 H 0 -8.541 -1.782 -1.859 0.00 0.00 H+0
ATOM 59 H 0 -6.770 -1.818 -1.684 0.00 0.00 H+0
ATOM 60 H 0 -7.801 -2.604 -0.464 0.00 0.00 H+0
ATOM 61 H 0 -6.649 1.007 0.669 0.00 0.00 H+0
ATOM 62 H 0 -5.332 -1.271 -0.983 0.00 0.00 H+0
ATOM 63 H 0 -4.249 0.944 0.878 0.00 0.00 H+0
ATOM 64 H 0 -2.794 -1.255 -2.127 0.00 0.00 H+0
ATOM 65 H 0 -2.071 -2.254 -0.844 0.00 0.00 H+0
ATOM 66 H 0 -3.840 -2.189 -1.031 0.00 0.00 H+0
ATOM 67 H 0 -1.849 0.868 1.093 0.00 0.00 H+0
ATOM 68 H 0 -0.524 -1.098 -0.911 0.00 0.00 H+0
ATOM 69 H 0 0.552 0.805 1.272 0.00 0.00 H+0
ATOM 70 H 0 1.878 -1.104 -0.786 0.00 0.00 H+0
ATOM 71 H 0 3.947 1.392 1.982 0.00 0.00 H+0
ATOM 72 H 0 2.366 1.955 1.389 0.00 0.00 H+0
ATOM 73 H 0 2.451 0.635 2.580 0.00 0.00 H+0
ATOM 74 H 0 4.280 -1.170 -0.605 0.00 0.00 H+0
ATOM 75 H 0 5.361 0.862 1.452 0.00 0.00 H+0
ATOM 76 H 0 6.678 -0.951 -0.701 0.00 0.00 H+0
ATOM 77 H 0 8.750 1.554 2.040 0.00 0.00 H+0
ATOM 78 H 0 7.216 2.191 1.400 0.00 0.00 H+0
ATOM 79 H 0 7.203 0.858 2.579 0.00 0.00 H+0
ATOM 80 H 0 9.077 -0.840 -0.705 0.00 0.00 H+0
ATOM 81 H 0 10.130 1.281 1.254 0.00 0.00 H+0
ATOM 82 H 0 10.077 -2.545 0.139 0.00 0.00 H+0
ATOM 83 H 0 11.288 -2.938 1.383 0.00 0.00 H+0
ATOM 84 H 0 10.192 -1.555 1.613 0.00 0.00 H+0
ATOM 85 H 0 13.712 -1.957 0.595 0.00 0.00 H+0
ATOM 86 H 0 12.862 -2.792 -0.724 0.00 0.00 H+0
ATOM 87 H 0 14.743 -1.243 -1.468 0.00 0.00 H+0
ATOM 88 H 0 13.157 -0.904 -2.210 0.00 0.00 H+0
ATOM 89 H 0 14.190 0.499 0.299 0.00 0.00 H+0
ATOM 90 H 0 14.358 1.164 -1.347 0.00 0.00 H+0
ATOM 91 H 0 11.840 0.387 -2.632 0.00 0.00 H+0
ATOM 92 H 0 10.796 1.691 -2.018 0.00 0.00 H+0
ATOM 93 H 0 12.458 2.053 -2.542 0.00 0.00 H+0
ATOM 94 H 0 13.011 3.059 -0.278 0.00 0.00 H+0
ATOM 95 H 0 11.297 2.786 0.119 0.00 0.00 H+0
ATOM 96 H 0 12.570 2.156 1.192 0.00 0.00 H+0
CONECT 1 2 41 42 43 NONE 101
CONECT 2 1 9 3 4 NONE 102
CONECT 3 2 44 45 46 NONE 103
CONECT 4 2 5 47 48 NONE 104
CONECT 5 4 6 49 50 NONE 105
CONECT 6 5 7 51 52 NONE 106
CONECT 7 6 8 9 0 NONE 107
CONECT 8 7 53 54 55 NONE 108
CONECT 9 7 2 10 0 NONE 109
CONECT 10 9 11 56 0 NONE 110
CONECT 11 10 12 57 0 NONE 111
CONECT 12 11 13 14 0 NONE 112
CONECT 13 12 58 59 60 NONE 113
CONECT 14 12 15 61 0 NONE 114
CONECT 15 14 16 62 0 NONE 115
CONECT 16 15 17 63 0 NONE 116
CONECT 17 16 18 19 0 NONE 117
CONECT 18 17 64 65 66 NONE 118
CONECT 19 17 20 67 0 NONE 119
CONECT 20 19 21 68 0 NONE 120
CONECT 21 20 22 69 0 NONE 121
CONECT 22 21 23 70 0 NONE 122
CONECT 23 22 24 25 0 NONE 123
CONECT 24 23 71 72 73 NONE 124
CONECT 25 23 26 74 0 NONE 125
CONECT 26 25 27 75 0 NONE 126
CONECT 27 26 28 76 0 NONE 127
CONECT 28 27 29 30 0 NONE 128
CONECT 29 28 77 78 79 NONE 129
CONECT 30 28 31 80 0 NONE 130
CONECT 31 30 32 81 0 NONE 131
CONECT 32 31 38 33 0 NONE 132
CONECT 33 32 34 35 0 NONE 133
CONECT 34 33 82 83 84 NONE 134
CONECT 35 33 36 85 86 NONE 135
CONECT 36 35 37 87 88 NONE 136
CONECT 37 36 38 89 90 NONE 137
CONECT 38 37 32 39 40 NONE 138
CONECT 39 38 91 92 93 NONE 139
CONECT 40 38 94 95 96 NONE 140
END</inlineContents>
</jmolApplet>
</jmol>

=== '''2D Sructure''' ===
[[Image:BCarotene.JPG|jpg|centre|200|2D Structure]]

BCarotene.JPG
== '''Properties of Beta Carotene''' ==

{| class="toccolours" border="1" style="fix: left; clear: left; margin: 0 0 1em 1em; border-collapse: collapse;"
|-
| align="centre" colspan="3" bgcolor="lt blue" |'''Properites'''
|-
|colspan="1"|IUPAC Systematic Name
|colspan="2"|3,7,12,16-tetramethyl-1,18-bis(2,6,6-trimethyl-1-cyclohexenyl)-octadec
a-1,3,5,7,9,11,13,15,17-nonaene
|-
|colspan="1"|Chemical Name
|colspan="2"|Beta Carotene
|-
|colspan="1"|Synonyms
|colspan="2"|Provitamin A, Provatene, Natural Yellow
|-
|colspan="1"|Molecular formula
|colspan="2"|C<sub>40</sub>H<sub>56
|-
|colspan="1"|Molecular Mass
|colspan="2"|536.87 gmol<sup>-1</sup>
|-
|colspan="1"|Melting Point
|colspan="2"|180 - 182<sup>o</sup>C
|-
|colspan="1"|Solubility
|colspan="2"|Fat soluble, practically insoluble in water
|-
|colspan="1"|Type of Substance
|colspan="2"|Carotenoid
|-
|colspan="1"|CAS Registry Number
|colspan="2"|[http://www.emolecules.com/cgi-bin/search?t=ss&q=beta+carotene 7235-40-7]
|-
|colspan="1"|SMILES string
|colspan="2"|CC2(C)CCCC(\C)=C2\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(/C)CCCC1(C)C
|-
|colspan="1"|Colour
|colspan="2"|Dark Red to Brown
|-
|}

== '''UV-Vis Spectra of Beta Carotene''' ==

[[Image:SpectraCarotene.jpg|jpg|centre|200|UV-Vis Spectra of Beta Carotene]]

The spectra shows a maxima at approximately 440nm, which corresponds to the absorption of blue light and so the chemical appears orange.

== '''Synthesising Beta Carotene''' ==

[[Image:BASFcarotene.jpg|jpg|centre|200|BASF Synthesis of Beta Carotene]]

=== '''Synthetic Route''' ===

This [http://www.chm.bris.ac.uk/motm/carotene/beta-carotene_synthesis.html mechanism] was developed by the Badische Anilin- & Soda-Fabrik ( BASF) and is based on the Wittig reaction. The general process involves reacting a ylide with an aldehyde or ketone, and the resultant is an alkene. The posphonium molecule is overall neutral and reacts with the aldehyde; in this case retinal, a chromophore found in photoreceptor cells of the retina. The reaction involves the formation of a 4 membered ring intermediate. The prcess is driven by the very stable and strong formation of a phosphine oxide bond (P=O). once this is eliminated, the alkene has formed i.e. beta carotene.

Beta Carotene can also be synthesised by using a Grignard reagent.

=== Roche Synthesis of Beta-Carotene ===
[[image:roche.gif|gif|centre|200]]
Image taken from http://www.chm.bris.ac.uk/motm/carotene/

This synthesis of beta-carotene was developed later by F. Hoffman-La Roche & Co. Ltd. It is a symmetrical reaction using two C19 chains combined with a C2 Grignard reactant to give a C40 carotene chain.

== '''IR Spectra of Beta Carotene''' ==

[[Image:IRcarotene.JPG|jpg|centre|200|IR Spectra of Beta Carotene]]

=='''Mass Spectrum'''==
[[Image:carotene-ms.gif|centre|200|Mass Spectra of Beta Carotene]]

== '''References''' ==

1. Zechmeister; Pinckard (J. Am. Chem. Soc), 1947

2. Caris-Veyrat, Catherine; Amiot, Marie-Josephe; Ramasseul, Rene; Marchon, Jean-Claude (New J. Chem), 2001.

3. http://www.par-chem.com

4. http://www.chm.bris.ac.uk/motm/carotene/beta-carotene_synthesis.html

5. http://www.sigmaaldrich.com

6. http://www.emolecules.com

File:Carotene-ms.gif

2006-12-01T15:04:24Z

Ahig05: carotene mass spec

carotene mass spec

It:DDT

2006-12-01T15:02:14Z

Ahig05: reorganised spectra

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''DDT'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:DDT1.png|200px]]
|-
| 3D Structure
|<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER CSD ENTRY XICKAV
ATOM 1 C1 MOL 1 15.200 12.819 -0.599 1.00 0.00
ATOM 2 C2 MOL 1 15.162 14.344 -0.059 1.00 0.00
ATOM 3 C3 MOL 1 16.569 12.022 -0.253 1.00 0.00
ATOM 4 C4 MOL 1 13.824 12.002 -0.353 1.00 0.00
ATOM 5 Cl5 MOL 1 16.574 15.292 -0.570 1.00 0.00
ATOM 6 Cl6 MOL 1 13.783 15.261 -0.703 1.00 0.00
ATOM 7 Cl7 MOL 1 15.080 14.332 1.709 1.00 0.00
ATOM 8 C8 MOL 1 16.673 10.689 -0.327 1.00 0.00
ATOM 9 C9 MOL 1 17.790 12.761 0.128 1.00 0.00
ATOM 10 C10 MOL 1 13.738 10.671 -0.460 1.00 0.00
ATOM 11 C11 MOL 1 12.576 12.721 -0.025 1.00 0.00
ATOM 12 C12 MOL 1 17.923 9.990 -0.036 1.00 0.00
ATOM 13 C13 MOL 1 18.937 12.132 0.383 1.00 0.00
ATOM 14 C14 MOL 1 12.480 9.956 -0.249 1.00 0.00
ATOM 15 C15 MOL 1 11.424 12.076 0.156 1.00 0.00
ATOM 16 C16 MOL 1 19.007 10.681 0.300 1.00 0.00
ATOM 17 C17 MOL 1 11.374 10.628 0.042 1.00 0.00
ATOM 18 Cl18 MOL 1 20.492 9.860 0.634 1.00 0.00
ATOM 19 Cl19 MOL 1 9.885 9.785 0.285 1.00 0.00
ATOM 20 H40 MOL 1 15.242 12.896 -1.595 1.00 0.00
ATOM 21 H42 MOL 1 15.869 10.155 -0.589 1.00 0.00
ATOM 22 H44 MOL 1 17.756 13.758 0.196 1.00 0.00
ATOM 23 H46 MOL 1 14.559 10.149 -0.691 1.00 0.00
ATOM 24 H48 MOL 1 12.596 13.717 0.063 1.00 0.00
ATOM 25 H50 MOL 1 17.963 8.993 -0.091 1.00 0.00
ATOM 26 H52 MOL 1 19.750 12.658 0.632 1.00 0.00
ATOM 27 H54 MOL 1 12.454 8.959 -0.325 1.00 0.00
ATOM 28 H56 MOL 1 10.593 12.589 0.370 1.00 0.00
END</inlineContents>
</jmolApplet>
</jmol>
|-
| [[IUPAC nomenclature|Chemical name]]
| ''4,4'-(2,2,2-trichloroethane-1,1-diyl)bis(chlorobenzene)''
|-
| [[CAS nummber]]
| 50-29-3
|-
| [[Chemical formula]]
| {{{formula|C<sub>14</sub>H<sub>9</sub>Cl<sub>5</sub>
|-
| [[Molecular mass]]
| {{{mol_mass|354.49 g/mol
|-
| [[Melting point]]
| 108.5 °C
|-
| [[Boiling point]]
| 260.0 °C
|-
| [[Simplified molecular input line entry specification|SMILES]]
| {{{SMILES|[ClC(Cl)(Cl)C(C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2
|-
| [[Colour]]
| {{{Colour| colorless
|-
|}
==='''Introduction'''===
DDT is arguably the best known organic pesticide, which was developed as the first of the modern insecticides early in World War II.It is a highly hydrophobic colorless solid with a weak, chemical odor that is nearly insoluble in water but has a good solubility in most organic solvents, fat, and oils. It was initially used with great effect to combat mosquitoes spreading malaria, typhus, and other insect-borne human diseases among both military and civilian populations, and as an agricultural insecticide.

===Problems===
DDT is fat soluble and is not metabolised by the body readily. With a biological half life of 8 years, this results, this results in the DDT being deposited in the fatty tissues of the animals. This causes problems when the animals are eat by humans as bioaccumulation occurs.

DDT was also found to be extremely toxic towards fishes, and resulted in fall in fish populations around the world.

Resistance to DDT also developed in insects, reducing the effectiveness of the insectide.

===Spectra===
====IR Spectrum====
[[image:ddt-ir.gif|500px]]

====Mass Spectrum====
[[image:ddt-ms.gif|500px]]

====UV/Vis Spectrum====
[[image:ddt-uv.gif|500px]]

It:DDT

2006-12-01T15:00:58Z

Ahig05: added uv spec

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''DDT'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:DDT1.png|200px]]
|-
| 3D Structure
|<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER CSD ENTRY XICKAV
ATOM 1 C1 MOL 1 15.200 12.819 -0.599 1.00 0.00
ATOM 2 C2 MOL 1 15.162 14.344 -0.059 1.00 0.00
ATOM 3 C3 MOL 1 16.569 12.022 -0.253 1.00 0.00
ATOM 4 C4 MOL 1 13.824 12.002 -0.353 1.00 0.00
ATOM 5 Cl5 MOL 1 16.574 15.292 -0.570 1.00 0.00
ATOM 6 Cl6 MOL 1 13.783 15.261 -0.703 1.00 0.00
ATOM 7 Cl7 MOL 1 15.080 14.332 1.709 1.00 0.00
ATOM 8 C8 MOL 1 16.673 10.689 -0.327 1.00 0.00
ATOM 9 C9 MOL 1 17.790 12.761 0.128 1.00 0.00
ATOM 10 C10 MOL 1 13.738 10.671 -0.460 1.00 0.00
ATOM 11 C11 MOL 1 12.576 12.721 -0.025 1.00 0.00
ATOM 12 C12 MOL 1 17.923 9.990 -0.036 1.00 0.00
ATOM 13 C13 MOL 1 18.937 12.132 0.383 1.00 0.00
ATOM 14 C14 MOL 1 12.480 9.956 -0.249 1.00 0.00
ATOM 15 C15 MOL 1 11.424 12.076 0.156 1.00 0.00
ATOM 16 C16 MOL 1 19.007 10.681 0.300 1.00 0.00
ATOM 17 C17 MOL 1 11.374 10.628 0.042 1.00 0.00
ATOM 18 Cl18 MOL 1 20.492 9.860 0.634 1.00 0.00
ATOM 19 Cl19 MOL 1 9.885 9.785 0.285 1.00 0.00
ATOM 20 H40 MOL 1 15.242 12.896 -1.595 1.00 0.00
ATOM 21 H42 MOL 1 15.869 10.155 -0.589 1.00 0.00
ATOM 22 H44 MOL 1 17.756 13.758 0.196 1.00 0.00
ATOM 23 H46 MOL 1 14.559 10.149 -0.691 1.00 0.00
ATOM 24 H48 MOL 1 12.596 13.717 0.063 1.00 0.00
ATOM 25 H50 MOL 1 17.963 8.993 -0.091 1.00 0.00
ATOM 26 H52 MOL 1 19.750 12.658 0.632 1.00 0.00
ATOM 27 H54 MOL 1 12.454 8.959 -0.325 1.00 0.00
ATOM 28 H56 MOL 1 10.593 12.589 0.370 1.00 0.00
END</inlineContents>
</jmolApplet>
</jmol>
|-
| [[IUPAC nomenclature|Chemical name]]
| ''4,4'-(2,2,2-trichloroethane-1,1-diyl)bis(chlorobenzene)''
|-
| [[CAS nummber]]
| 50-29-3
|-
| [[Chemical formula]]
| {{{formula|C<sub>14</sub>H<sub>9</sub>Cl<sub>5</sub>
|-
| [[Molecular mass]]
| {{{mol_mass|354.49 g/mol
|-
| [[Melting point]]
| 108.5 °C
|-
| [[Boiling point]]
| 260.0 °C
|-
| [[Simplified molecular input line entry specification|SMILES]]
| {{{SMILES|[ClC(Cl)(Cl)C(C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2
|-
| [[Colour]]
| {{{Colour| colorless
|-
|}
==='''Introduction'''===
DDT is arguably the best known organic pesticide, which was developed as the first of the modern insecticides early in World War II.It is a highly hydrophobic colorless solid with a weak, chemical odor that is nearly insoluble in water but has a good solubility in most organic solvents, fat, and oils. It was initially used with great effect to combat mosquitoes spreading malaria, typhus, and other insect-borne human diseases among both military and civilian populations, and as an agricultural insecticide.

===Problems===
DDT is fat soluble and is not metabolised by the body readily. With a biological half life of 8 years, this results, this results in the DDT being deposited in the fatty tissues of the animals. This causes problems when the animals are eat by humans as bioaccumulation occurs.

DDT was also found to be extremely toxic towards fishes, and resulted in fall in fish populations around the world.

Resistance to DDT also developed in insects, reducing the effectiveness of the insectide.

===IR Spectrum===
[[image:ddt-ir.gif|500px]]

===Mass Spectrum===
[[image:ddt-ms.gif|500px]]

===UV/Vis Spectrum===
[[image:ddt-uv.gif|500px]]

File:Ddt-uv.gif

2006-12-01T15:00:09Z

Ahig05: DDT UV

DDT UV

It:DDT

2006-12-01T14:59:21Z

Ahig05: added mass spec

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''DDT'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:DDT1.png|200px]]
|-
| 3D Structure
|<jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER CSD ENTRY XICKAV
ATOM 1 C1 MOL 1 15.200 12.819 -0.599 1.00 0.00
ATOM 2 C2 MOL 1 15.162 14.344 -0.059 1.00 0.00
ATOM 3 C3 MOL 1 16.569 12.022 -0.253 1.00 0.00
ATOM 4 C4 MOL 1 13.824 12.002 -0.353 1.00 0.00
ATOM 5 Cl5 MOL 1 16.574 15.292 -0.570 1.00 0.00
ATOM 6 Cl6 MOL 1 13.783 15.261 -0.703 1.00 0.00
ATOM 7 Cl7 MOL 1 15.080 14.332 1.709 1.00 0.00
ATOM 8 C8 MOL 1 16.673 10.689 -0.327 1.00 0.00
ATOM 9 C9 MOL 1 17.790 12.761 0.128 1.00 0.00
ATOM 10 C10 MOL 1 13.738 10.671 -0.460 1.00 0.00
ATOM 11 C11 MOL 1 12.576 12.721 -0.025 1.00 0.00
ATOM 12 C12 MOL 1 17.923 9.990 -0.036 1.00 0.00
ATOM 13 C13 MOL 1 18.937 12.132 0.383 1.00 0.00
ATOM 14 C14 MOL 1 12.480 9.956 -0.249 1.00 0.00
ATOM 15 C15 MOL 1 11.424 12.076 0.156 1.00 0.00
ATOM 16 C16 MOL 1 19.007 10.681 0.300 1.00 0.00
ATOM 17 C17 MOL 1 11.374 10.628 0.042 1.00 0.00
ATOM 18 Cl18 MOL 1 20.492 9.860 0.634 1.00 0.00
ATOM 19 Cl19 MOL 1 9.885 9.785 0.285 1.00 0.00
ATOM 20 H40 MOL 1 15.242 12.896 -1.595 1.00 0.00
ATOM 21 H42 MOL 1 15.869 10.155 -0.589 1.00 0.00
ATOM 22 H44 MOL 1 17.756 13.758 0.196 1.00 0.00
ATOM 23 H46 MOL 1 14.559 10.149 -0.691 1.00 0.00
ATOM 24 H48 MOL 1 12.596 13.717 0.063 1.00 0.00
ATOM 25 H50 MOL 1 17.963 8.993 -0.091 1.00 0.00
ATOM 26 H52 MOL 1 19.750 12.658 0.632 1.00 0.00
ATOM 27 H54 MOL 1 12.454 8.959 -0.325 1.00 0.00
ATOM 28 H56 MOL 1 10.593 12.589 0.370 1.00 0.00
END</inlineContents>
</jmolApplet>
</jmol>
|-
| [[IUPAC nomenclature|Chemical name]]
| ''4,4'-(2,2,2-trichloroethane-1,1-diyl)bis(chlorobenzene)''
|-
| [[CAS nummber]]
| 50-29-3
|-
| [[Chemical formula]]
| {{{formula|C<sub>14</sub>H<sub>9</sub>Cl<sub>5</sub>
|-
| [[Molecular mass]]
| {{{mol_mass|354.49 g/mol
|-
| [[Melting point]]
| 108.5 °C
|-
| [[Boiling point]]
| 260.0 °C
|-
| [[Simplified molecular input line entry specification|SMILES]]
| {{{SMILES|[ClC(Cl)(Cl)C(C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2
|-
| [[Colour]]
| {{{Colour| colorless
|-
|}
==='''Introduction'''===
DDT is arguably the best known organic pesticide, which was developed as the first of the modern insecticides early in World War II.It is a highly hydrophobic colorless solid with a weak, chemical odor that is nearly insoluble in water but has a good solubility in most organic solvents, fat, and oils. It was initially used with great effect to combat mosquitoes spreading malaria, typhus, and other insect-borne human diseases among both military and civilian populations, and as an agricultural insecticide.

===Problems===
DDT is fat soluble and is not metabolised by the body readily. With a biological half life of 8 years, this results, this results in the DDT being deposited in the fatty tissues of the animals. This causes problems when the animals are eat by humans as bioaccumulation occurs.

DDT was also found to be extremely toxic towards fishes, and resulted in fall in fish populations around the world.

Resistance to DDT also developed in insects, reducing the effectiveness of the insectide.

===IR Spectrum===
[[image:ddt-ir.gif|500px]]

===Mass Spectrum===
[[image:ddt-ms.gif|500px]]

File:Ddt-ms.gif

2006-12-01T14:58:34Z

Ahig05: DDT mass spec

DDT mass spec

It:DDT

2006-12-01T14:58:06Z

Ahig05: inserted IR

File:Ddt-ir.gif

2006-12-01T14:56:55Z

Ahig05: IR for DDT

IR for DDT

It:DDT

2006-12-01T14:52:29Z

Ahig05: added problems caused by DDT

It:DDT

2006-12-01T14:47:14Z

Ahig05: rearranged page

It:Adenosine Triphosphate

2006-11-28T16:27:22Z

Ahig05: ATP in respiration

== Adenosine Triphosphate ==

Adenosine Triphosphate (ATP) (C<sub>10</sub>H<sub>16</sub>O<sub>13</sub>N<sub>5</sub>P<sub>3</sub>) is found in muscles as an energy source.

==Structure==
ATP consists of adenosine(made up of an adenine ring and a ribose sugar)and three phosphate groups.

[[image:ATP.gif]]

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47 49 0 0 0 0 0 0 0 0999 V2000
16.1747 10.9080 1.0502 O 0 0 0 0 0 0 0 0 0 1
16.7822 11.4116 -0.1410 C 0 0 1 0 0 0 0 0 0 2
16.7113 12.9698 0.0421 C 0 0 2 0 0 0 0 0 0 3
18.3293 11.3438 -0.3596 C 0 0 2 0 0 0 0 0 0 4
15.4658 13.7093 -0.2516 N 0 0 0 0 0 0 0 0 0 5
17.8685 13.4980 -0.5005 O 0 0 0 0 0 0 0 0 0 6
18.9325 10.0708 -0.0836 O 0 0 0 0 0 0 0 0 0 7
18.8276 12.6051 0.2345 C 0 0 1 0 0 0 0 0 0 8
14.1141 13.3654 -0.0335 C 0 0 0 0 0 0 0 0 0 9
15.4356 15.1538 -0.4027 C 0 0 0 0 0 0 0 0 0 10
20.2497 13.0230 -0.1354 C 0 0 0 0 0 0 0 0 0 11
13.4069 14.4547 -0.1715 C 0 0 0 0 0 0 0 0 0 12
13.5235 12.1529 0.2765 N 0 0 0 0 0 0 0 0 0 13
14.2179 15.5540 -0.4153 N 0 0 0 0 0 0 0 0 0 14
21.2662 12.2003 0.3684 O 0 0 0 0 0 0 0 0 0 15
11.9938 14.4415 -0.0254 C 0 0 0 0 0 0 0 0 0 16
12.2450 12.1294 0.4069 C 0 0 0 0 0 0 0 0 0 17
22.5617 12.9741 0.1738 P 0 0 1 0 0 0 0 0 0 18
11.2273 15.6441 -0.1751 N 0 0 0 0 0 0 0 0 0 19
11.4431 13.3248 0.2475 N 0 0 0 0 0 0 0 0 0 20
23.7685 12.0688 -0.0441 O 0 0 0 0 0 0 0 0 0 21
22.4462 13.9489 -0.7426 O 0 0 0 0 0 0 0 0 0 22
22.8783 13.7620 1.4187 O 0 0 0 0 0 0 0 0 0 23
25.1314 12.8088 -0.0644 P 0 0 1 0 0 0 0 0 0 24
25.0619 14.3488 -0.0444 O 0 0 0 0 0 0 0 0 0 25
25.8441 12.3892 0.9932 O 0 0 0 0 0 0 0 0 0 26
26.0476 12.2764 -1.1401 O 0 0 0 0 0 0 0 0 0 27
26.4367 15.0409 -0.1381 P 0 0 0 0 0 0 0 0 0 28
27.1540 14.5246 -1.1463 O 0 0 0 0 0 0 0 0 0 29
26.2857 16.5363 -0.2585 O 0 0 0 0 0 0 0 0 0 30
27.2314 14.6905 1.0941 O 0 0 0 0 0 0 0 0 0 31
16.1726 9.9083 1.0270 H 0 0 0 0 0 0 0 0 0 0
16.3239 10.8849 -0.8569 H 0 0 0 0 0 0 0 0 0 0
16.6567 13.1231 1.0287 H 0 0 0 0 0 0 0 0 0 0
18.6315 11.3329 -1.3128 H 0 0 0 0 0 0 0 0 0 0
19.9169 10.1246 -0.2507 H 0 0 0 0 0 0 0 0 0 0
18.8664 12.5909 1.2336 H 0 0 0 0 0 0 0 0 0 0
16.2391 15.7436 -0.4840 H 0 0 0 0 0 0 0 0 0 0
20.3209 13.0263 -1.1329 H 0 0 0 0 0 0 0 0 0 0
20.4001 13.9482 0.2130 H 0 0 0 0 0 0 0 0 0 0
11.7929 11.2642 0.6237 H 0 0 0 0 0 0 0 0 0 0
10.2332 15.6199 -0.0695 H 0 0 0 0 0 0 0 0 0 0
11.6869 16.5070 -0.3852 H 0 0 0 0 0 0 0 0 0 0
23.7301 14.2685 1.2856 H 0 0 0 0 0 0 0 0 0 0
26.9126 12.7778 -1.1201 H 0 0 0 0 0 0 0 0 0 0
27.1898 16.9594 -0.3175 H 0 0 0 0 0 0 0 0 0 0
28.1277 15.1318 1.0499 H 0 0 0 0 0 0 0 0 0 0
2 1 1 1 0 0
2 3 1 0 0 0
2 4 1 0 0 0
3 5 1 6 0 0
3 6 1 0 0 0
4 7 1 1 0 0
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9 12 2 0 0 0
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11 15 1 0 0 0
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17 20 1 0 0 0
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18 23 1 0 0 0
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17 41 1 0 0 0
19 42 1 0 0 0
19 43 1 0 0 0
23 44 1 0 0 0
27 45 1 0 0 0
30 46 1 0 0 0
31 47 1 0 0 0
M END</inlineContents>
</jmolApplet>
</jmol>

==Working Principles of ATP==
Adenosine Triphospate is made up of 3 phosphate groups. When the third phosphate group of ATP is removed by hydrolysis, energy is released. This amount is relatively large, and easily accessible in biological terms. As such, the bond between the last and second phosphate group is known as a "high energy" bond.

==Advantages of using ATP==
The body uses ATP as a convenient source of energy as the energy released during the hydrolysis of ATP into ADP is sufficient to "power" most cellular reactions. Direct hydrolysis of a glucose molecule produces too much energy and would be a waste. Glucose molecules are also too large compared to the small and portable ATP packets.

==ATP in respiration==
In the Kreb's Cycle, full oxidation of a single glucose molecule can produce up to 30 units of ATP for use. This involves the use of complex electron transfer chains within membranes of respiratory organelles such as mitochondria. This processes involve the use of coenzymes such as NAD, NADPH, as well as Acetyl Coenzyme A (Acetyl CoA) in oxidative phosphorylation where ADP is converted back into ATP.

It:Adenosine Triphosphate

2006-11-28T16:22:20Z

Ahig05: advantages of using ATP in the body

== Adenosine Triphosphate ==

Adenosine Triphosphate (ATP) (C<sub>10</sub>H<sub>16</sub>O<sub>13</sub>N<sub>5</sub>P<sub>3</sub>) is found in muscles as an energy source.

==Structure==
ATP consists of adenosine(made up of an adenine ring and a ribose sugar)and three phosphate groups.

[[image:ATP.gif]]

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47 49 0 0 0 0 0 0 0 0999 V2000
16.1747 10.9080 1.0502 O 0 0 0 0 0 0 0 0 0 1
16.7822 11.4116 -0.1410 C 0 0 1 0 0 0 0 0 0 2
16.7113 12.9698 0.0421 C 0 0 2 0 0 0 0 0 0 3
18.3293 11.3438 -0.3596 C 0 0 2 0 0 0 0 0 0 4
15.4658 13.7093 -0.2516 N 0 0 0 0 0 0 0 0 0 5
17.8685 13.4980 -0.5005 O 0 0 0 0 0 0 0 0 0 6
18.9325 10.0708 -0.0836 O 0 0 0 0 0 0 0 0 0 7
18.8276 12.6051 0.2345 C 0 0 1 0 0 0 0 0 0 8
14.1141 13.3654 -0.0335 C 0 0 0 0 0 0 0 0 0 9
15.4356 15.1538 -0.4027 C 0 0 0 0 0 0 0 0 0 10
20.2497 13.0230 -0.1354 C 0 0 0 0 0 0 0 0 0 11
13.4069 14.4547 -0.1715 C 0 0 0 0 0 0 0 0 0 12
13.5235 12.1529 0.2765 N 0 0 0 0 0 0 0 0 0 13
14.2179 15.5540 -0.4153 N 0 0 0 0 0 0 0 0 0 14
21.2662 12.2003 0.3684 O 0 0 0 0 0 0 0 0 0 15
11.9938 14.4415 -0.0254 C 0 0 0 0 0 0 0 0 0 16
12.2450 12.1294 0.4069 C 0 0 0 0 0 0 0 0 0 17
22.5617 12.9741 0.1738 P 0 0 1 0 0 0 0 0 0 18
11.2273 15.6441 -0.1751 N 0 0 0 0 0 0 0 0 0 19
11.4431 13.3248 0.2475 N 0 0 0 0 0 0 0 0 0 20
23.7685 12.0688 -0.0441 O 0 0 0 0 0 0 0 0 0 21
22.4462 13.9489 -0.7426 O 0 0 0 0 0 0 0 0 0 22
22.8783 13.7620 1.4187 O 0 0 0 0 0 0 0 0 0 23
25.1314 12.8088 -0.0644 P 0 0 1 0 0 0 0 0 0 24
25.0619 14.3488 -0.0444 O 0 0 0 0 0 0 0 0 0 25
25.8441 12.3892 0.9932 O 0 0 0 0 0 0 0 0 0 26
26.0476 12.2764 -1.1401 O 0 0 0 0 0 0 0 0 0 27
26.4367 15.0409 -0.1381 P 0 0 0 0 0 0 0 0 0 28
27.1540 14.5246 -1.1463 O 0 0 0 0 0 0 0 0 0 29
26.2857 16.5363 -0.2585 O 0 0 0 0 0 0 0 0 0 30
27.2314 14.6905 1.0941 O 0 0 0 0 0 0 0 0 0 31
16.1726 9.9083 1.0270 H 0 0 0 0 0 0 0 0 0 0
16.3239 10.8849 -0.8569 H 0 0 0 0 0 0 0 0 0 0
16.6567 13.1231 1.0287 H 0 0 0 0 0 0 0 0 0 0
18.6315 11.3329 -1.3128 H 0 0 0 0 0 0 0 0 0 0
19.9169 10.1246 -0.2507 H 0 0 0 0 0 0 0 0 0 0
18.8664 12.5909 1.2336 H 0 0 0 0 0 0 0 0 0 0
16.2391 15.7436 -0.4840 H 0 0 0 0 0 0 0 0 0 0
20.3209 13.0263 -1.1329 H 0 0 0 0 0 0 0 0 0 0
20.4001 13.9482 0.2130 H 0 0 0 0 0 0 0 0 0 0
11.7929 11.2642 0.6237 H 0 0 0 0 0 0 0 0 0 0
10.2332 15.6199 -0.0695 H 0 0 0 0 0 0 0 0 0 0
11.6869 16.5070 -0.3852 H 0 0 0 0 0 0 0 0 0 0
23.7301 14.2685 1.2856 H 0 0 0 0 0 0 0 0 0 0
26.9126 12.7778 -1.1201 H 0 0 0 0 0 0 0 0 0 0
27.1898 16.9594 -0.3175 H 0 0 0 0 0 0 0 0 0 0
28.1277 15.1318 1.0499 H 0 0 0 0 0 0 0 0 0 0
2 1 1 1 0 0
2 3 1 0 0 0
2 4 1 0 0 0
3 5 1 6 0 0
3 6 1 0 0 0
4 7 1 1 0 0
4 8 1 0 0 0
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5 10 1 0 0 0
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4 35 1 0 0 0
7 36 1 0 0 0
8 37 1 0 0 0
10 38 1 0 0 0
11 39 1 0 0 0
11 40 1 0 0 0
17 41 1 0 0 0
19 42 1 0 0 0
19 43 1 0 0 0
23 44 1 0 0 0
27 45 1 0 0 0
30 46 1 0 0 0
31 47 1 0 0 0
M END</inlineContents>
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==Working Principles of ATP==
Adenosine Triphospate is made up of 3 phosphate groups. When the third phosphate group of ATP is removed by hydrolysis, energy is released. This amount is relatively large, and easily accessible in biological terms. As such, the bond between the last and second phosphate group is known as a "high energy" bond.

==Advantages of using ATP==
The body uses ATP as a convenient source of energy as the energy released during the hydrolysis of ATP into ADP is sufficient to "power" most cellular reactions. Direct hydrolysis of a glucose molecule produces too much energy and would be a waste. Glucose molecules are also too large compared to the small and portable ATP packets.

It:Adenosine Triphosphate

2006-11-28T16:20:16Z

Ahig05: structure

== Adenosine Triphosphate ==

Adenosine Triphosphate (ATP) (C<sub>10</sub>H<sub>16</sub>O<sub>13</sub>N<sub>5</sub>P<sub>3</sub>) is found in muscles as an energy source.

==Structure==
ATP consists of adenosine(made up of an adenine ring and a ribose sugar)and three phosphate groups.

[[image:ATP.gif]]

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16.1747 10.9080 1.0502 O 0 0 0 0 0 0 0 0 0 1
16.7822 11.4116 -0.1410 C 0 0 1 0 0 0 0 0 0 2
16.7113 12.9698 0.0421 C 0 0 2 0 0 0 0 0 0 3
18.3293 11.3438 -0.3596 C 0 0 2 0 0 0 0 0 0 4
15.4658 13.7093 -0.2516 N 0 0 0 0 0 0 0 0 0 5
17.8685 13.4980 -0.5005 O 0 0 0 0 0 0 0 0 0 6
18.9325 10.0708 -0.0836 O 0 0 0 0 0 0 0 0 0 7
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15.4356 15.1538 -0.4027 C 0 0 0 0 0 0 0 0 0 10
20.2497 13.0230 -0.1354 C 0 0 0 0 0 0 0 0 0 11
13.4069 14.4547 -0.1715 C 0 0 0 0 0 0 0 0 0 12
13.5235 12.1529 0.2765 N 0 0 0 0 0 0 0 0 0 13
14.2179 15.5540 -0.4153 N 0 0 0 0 0 0 0 0 0 14
21.2662 12.2003 0.3684 O 0 0 0 0 0 0 0 0 0 15
11.9938 14.4415 -0.0254 C 0 0 0 0 0 0 0 0 0 16
12.2450 12.1294 0.4069 C 0 0 0 0 0 0 0 0 0 17
22.5617 12.9741 0.1738 P 0 0 1 0 0 0 0 0 0 18
11.2273 15.6441 -0.1751 N 0 0 0 0 0 0 0 0 0 19
11.4431 13.3248 0.2475 N 0 0 0 0 0 0 0 0 0 20
23.7685 12.0688 -0.0441 O 0 0 0 0 0 0 0 0 0 21
22.4462 13.9489 -0.7426 O 0 0 0 0 0 0 0 0 0 22
22.8783 13.7620 1.4187 O 0 0 0 0 0 0 0 0 0 23
25.1314 12.8088 -0.0644 P 0 0 1 0 0 0 0 0 0 24
25.0619 14.3488 -0.0444 O 0 0 0 0 0 0 0 0 0 25
25.8441 12.3892 0.9932 O 0 0 0 0 0 0 0 0 0 26
26.0476 12.2764 -1.1401 O 0 0 0 0 0 0 0 0 0 27
26.4367 15.0409 -0.1381 P 0 0 0 0 0 0 0 0 0 28
27.1540 14.5246 -1.1463 O 0 0 0 0 0 0 0 0 0 29
26.2857 16.5363 -0.2585 O 0 0 0 0 0 0 0 0 0 30
27.2314 14.6905 1.0941 O 0 0 0 0 0 0 0 0 0 31
16.1726 9.9083 1.0270 H 0 0 0 0 0 0 0 0 0 0
16.3239 10.8849 -0.8569 H 0 0 0 0 0 0 0 0 0 0
16.6567 13.1231 1.0287 H 0 0 0 0 0 0 0 0 0 0
18.6315 11.3329 -1.3128 H 0 0 0 0 0 0 0 0 0 0
19.9169 10.1246 -0.2507 H 0 0 0 0 0 0 0 0 0 0
18.8664 12.5909 1.2336 H 0 0 0 0 0 0 0 0 0 0
16.2391 15.7436 -0.4840 H 0 0 0 0 0 0 0 0 0 0
20.3209 13.0263 -1.1329 H 0 0 0 0 0 0 0 0 0 0
20.4001 13.9482 0.2130 H 0 0 0 0 0 0 0 0 0 0
11.7929 11.2642 0.6237 H 0 0 0 0 0 0 0 0 0 0
10.2332 15.6199 -0.0695 H 0 0 0 0 0 0 0 0 0 0
11.6869 16.5070 -0.3852 H 0 0 0 0 0 0 0 0 0 0
23.7301 14.2685 1.2856 H 0 0 0 0 0 0 0 0 0 0
26.9126 12.7778 -1.1201 H 0 0 0 0 0 0 0 0 0 0
27.1898 16.9594 -0.3175 H 0 0 0 0 0 0 0 0 0 0
28.1277 15.1318 1.0499 H 0 0 0 0 0 0 0 0 0 0
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23 44 1 0 0 0
27 45 1 0 0 0
30 46 1 0 0 0
31 47 1 0 0 0
M END</inlineContents>
</jmolApplet>
</jmol>

==Working Principles of ATP==
Adenosine Triphospate is made up of 3 phosphate groups. When the third phosphate group of ATP is removed by hydrolysis, energy is released. This amount is relatively large, and easily accessible in biological terms. As such, the bond between the last and second phosphate group is known as a "high energy" bond.
The body uses ATP as a convenient source of energy as the energy released during the hydrolysis of ATP into ADP is sufficient to "power" most cellular reactions. Direct hydrolysis of a glucose molecule produces too much energy and would be a waste. Glucose molecules are also too large compared to the small and portable ATP packets. ATP is also very much involved in electron transfer chains in the membranes of respiratory organelles in the cells due to it's size, and it's efficiency in carrying energy.

It:Adenosine Triphosphate

2006-11-28T16:16:52Z

Ahig05: working principles of ATP

== Adenosine Triphosphate ==

Adenosine Triphosphate (ATP) (C<sub>10</sub>H<sub>16</sub>O<sub>13</sub>N<sub>5</sub>P<sub>3</sub>) is found in muscles as an energy source.

[[image:ATP.gif]]

<jmol>
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16.1747 10.9080 1.0502 O 0 0 0 0 0 0 0 0 0 1
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16.7113 12.9698 0.0421 C 0 0 2 0 0 0 0 0 0 3
18.3293 11.3438 -0.3596 C 0 0 2 0 0 0 0 0 0 4
15.4658 13.7093 -0.2516 N 0 0 0 0 0 0 0 0 0 5
17.8685 13.4980 -0.5005 O 0 0 0 0 0 0 0 0 0 6
18.9325 10.0708 -0.0836 O 0 0 0 0 0 0 0 0 0 7
18.8276 12.6051 0.2345 C 0 0 1 0 0 0 0 0 0 8
14.1141 13.3654 -0.0335 C 0 0 0 0 0 0 0 0 0 9
15.4356 15.1538 -0.4027 C 0 0 0 0 0 0 0 0 0 10
20.2497 13.0230 -0.1354 C 0 0 0 0 0 0 0 0 0 11
13.4069 14.4547 -0.1715 C 0 0 0 0 0 0 0 0 0 12
13.5235 12.1529 0.2765 N 0 0 0 0 0 0 0 0 0 13
14.2179 15.5540 -0.4153 N 0 0 0 0 0 0 0 0 0 14
21.2662 12.2003 0.3684 O 0 0 0 0 0 0 0 0 0 15
11.9938 14.4415 -0.0254 C 0 0 0 0 0 0 0 0 0 16
12.2450 12.1294 0.4069 C 0 0 0 0 0 0 0 0 0 17
22.5617 12.9741 0.1738 P 0 0 1 0 0 0 0 0 0 18
11.2273 15.6441 -0.1751 N 0 0 0 0 0 0 0 0 0 19
11.4431 13.3248 0.2475 N 0 0 0 0 0 0 0 0 0 20
23.7685 12.0688 -0.0441 O 0 0 0 0 0 0 0 0 0 21
22.4462 13.9489 -0.7426 O 0 0 0 0 0 0 0 0 0 22
22.8783 13.7620 1.4187 O 0 0 0 0 0 0 0 0 0 23
25.1314 12.8088 -0.0644 P 0 0 1 0 0 0 0 0 0 24
25.0619 14.3488 -0.0444 O 0 0 0 0 0 0 0 0 0 25
25.8441 12.3892 0.9932 O 0 0 0 0 0 0 0 0 0 26
26.0476 12.2764 -1.1401 O 0 0 0 0 0 0 0 0 0 27
26.4367 15.0409 -0.1381 P 0 0 0 0 0 0 0 0 0 28
27.1540 14.5246 -1.1463 O 0 0 0 0 0 0 0 0 0 29
26.2857 16.5363 -0.2585 O 0 0 0 0 0 0 0 0 0 30
27.2314 14.6905 1.0941 O 0 0 0 0 0 0 0 0 0 31
16.1726 9.9083 1.0270 H 0 0 0 0 0 0 0 0 0 0
16.3239 10.8849 -0.8569 H 0 0 0 0 0 0 0 0 0 0
16.6567 13.1231 1.0287 H 0 0 0 0 0 0 0 0 0 0
18.6315 11.3329 -1.3128 H 0 0 0 0 0 0 0 0 0 0
19.9169 10.1246 -0.2507 H 0 0 0 0 0 0 0 0 0 0
18.8664 12.5909 1.2336 H 0 0 0 0 0 0 0 0 0 0
16.2391 15.7436 -0.4840 H 0 0 0 0 0 0 0 0 0 0
20.3209 13.0263 -1.1329 H 0 0 0 0 0 0 0 0 0 0
20.4001 13.9482 0.2130 H 0 0 0 0 0 0 0 0 0 0
11.7929 11.2642 0.6237 H 0 0 0 0 0 0 0 0 0 0
10.2332 15.6199 -0.0695 H 0 0 0 0 0 0 0 0 0 0
11.6869 16.5070 -0.3852 H 0 0 0 0 0 0 0 0 0 0
23.7301 14.2685 1.2856 H 0 0 0 0 0 0 0 0 0 0
26.9126 12.7778 -1.1201 H 0 0 0 0 0 0 0 0 0 0
27.1898 16.9594 -0.3175 H 0 0 0 0 0 0 0 0 0 0
28.1277 15.1318 1.0499 H 0 0 0 0 0 0 0 0 0 0
2 1 1 1 0 0
2 3 1 0 0 0
2 4 1 0 0 0
3 5 1 6 0 0
3 6 1 0 0 0
4 7 1 1 0 0
4 8 1 0 0 0
5 9 1 0 0 0
5 10 1 0 0 0
6 8 1 0 0 0
8 11 1 6 0 0
9 12 2 0 0 0
9 13 1 0 0 0
10 14 2 0 0 0
11 15 1 0 0 0
12 14 1 0 0 0
12 16 1 0 0 0
13 17 2 0 0 0
15 18 1 0 0 0
16 19 1 0 0 0
16 20 2 0 0 0
17 20 1 0 0 0
18 21 1 0 0 0
18 22 2 0 0 0
18 23 1 0 0 0
21 24 1 0 0 0
24 25 1 0 0 0
24 26 2 0 0 0
24 27 1 0 0 0
25 28 1 0 0 0
28 29 2 0 0 0
28 30 1 0 0 0
28 31 1 0 0 0
1 32 1 0 0 0
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10 38 1 0 0 0
11 39 1 0 0 0
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17 41 1 0 0 0
19 42 1 0 0 0
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23 44 1 0 0 0
27 45 1 0 0 0
30 46 1 0 0 0
31 47 1 0 0 0
M END</inlineContents>
</jmolApplet>
</jmol>

==Working Principles of ATP==
Adenosine Triphospate is made up of 3 phosphate groups. When the third phosphate group of ATP is removed by hydrolysis, energy is released. This amount is relatively large, and easily accessible in biological terms. As such, the bond between the last and second phosphate group is known as a "high energy" bond.
The body uses ATP as a convenient source of energy as the energy released during the hydrolysis of ATP into ADP is sufficient to "power" most cellular reactions. Direct hydrolysis of a glucose molecule produces too much energy and would be a waste. Glucose molecules are also too large compared to the small and portable ATP packets. ATP is also very much involved in electron transfer chains in the membranes of respiratory organelles in the cells due to it's size, and it's efficiency in carrying energy.

It:Adenosine Triphosphate

2006-11-28T16:08:42Z

Ahig05: added molecular drawing

== Adenosine Triphosphate ==

Adenosine Triphosphate (ATP) (C<sub>10</sub>H<sub>16</sub>O<sub>13</sub>N<sub>5</sub>P<sub>3</sub>) is found in muscles as an energy source.

[[image:ATP.gif]]

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47 49 0 0 0 0 0 0 0 0999 V2000
16.1747 10.9080 1.0502 O 0 0 0 0 0 0 0 0 0 1
16.7822 11.4116 -0.1410 C 0 0 1 0 0 0 0 0 0 2
16.7113 12.9698 0.0421 C 0 0 2 0 0 0 0 0 0 3
18.3293 11.3438 -0.3596 C 0 0 2 0 0 0 0 0 0 4
15.4658 13.7093 -0.2516 N 0 0 0 0 0 0 0 0 0 5
17.8685 13.4980 -0.5005 O 0 0 0 0 0 0 0 0 0 6
18.9325 10.0708 -0.0836 O 0 0 0 0 0 0 0 0 0 7
18.8276 12.6051 0.2345 C 0 0 1 0 0 0 0 0 0 8
14.1141 13.3654 -0.0335 C 0 0 0 0 0 0 0 0 0 9
15.4356 15.1538 -0.4027 C 0 0 0 0 0 0 0 0 0 10
20.2497 13.0230 -0.1354 C 0 0 0 0 0 0 0 0 0 11
13.4069 14.4547 -0.1715 C 0 0 0 0 0 0 0 0 0 12
13.5235 12.1529 0.2765 N 0 0 0 0 0 0 0 0 0 13
14.2179 15.5540 -0.4153 N 0 0 0 0 0 0 0 0 0 14
21.2662 12.2003 0.3684 O 0 0 0 0 0 0 0 0 0 15
11.9938 14.4415 -0.0254 C 0 0 0 0 0 0 0 0 0 16
12.2450 12.1294 0.4069 C 0 0 0 0 0 0 0 0 0 17
22.5617 12.9741 0.1738 P 0 0 1 0 0 0 0 0 0 18
11.2273 15.6441 -0.1751 N 0 0 0 0 0 0 0 0 0 19
11.4431 13.3248 0.2475 N 0 0 0 0 0 0 0 0 0 20
23.7685 12.0688 -0.0441 O 0 0 0 0 0 0 0 0 0 21
22.4462 13.9489 -0.7426 O 0 0 0 0 0 0 0 0 0 22
22.8783 13.7620 1.4187 O 0 0 0 0 0 0 0 0 0 23
25.1314 12.8088 -0.0644 P 0 0 1 0 0 0 0 0 0 24
25.0619 14.3488 -0.0444 O 0 0 0 0 0 0 0 0 0 25
25.8441 12.3892 0.9932 O 0 0 0 0 0 0 0 0 0 26
26.0476 12.2764 -1.1401 O 0 0 0 0 0 0 0 0 0 27
26.4367 15.0409 -0.1381 P 0 0 0 0 0 0 0 0 0 28
27.1540 14.5246 -1.1463 O 0 0 0 0 0 0 0 0 0 29
26.2857 16.5363 -0.2585 O 0 0 0 0 0 0 0 0 0 30
27.2314 14.6905 1.0941 O 0 0 0 0 0 0 0 0 0 31
16.1726 9.9083 1.0270 H 0 0 0 0 0 0 0 0 0 0
16.3239 10.8849 -0.8569 H 0 0 0 0 0 0 0 0 0 0
16.6567 13.1231 1.0287 H 0 0 0 0 0 0 0 0 0 0
18.6315 11.3329 -1.3128 H 0 0 0 0 0 0 0 0 0 0
19.9169 10.1246 -0.2507 H 0 0 0 0 0 0 0 0 0 0
18.8664 12.5909 1.2336 H 0 0 0 0 0 0 0 0 0 0
16.2391 15.7436 -0.4840 H 0 0 0 0 0 0 0 0 0 0
20.3209 13.0263 -1.1329 H 0 0 0 0 0 0 0 0 0 0
20.4001 13.9482 0.2130 H 0 0 0 0 0 0 0 0 0 0
11.7929 11.2642 0.6237 H 0 0 0 0 0 0 0 0 0 0
10.2332 15.6199 -0.0695 H 0 0 0 0 0 0 0 0 0 0
11.6869 16.5070 -0.3852 H 0 0 0 0 0 0 0 0 0 0
23.7301 14.2685 1.2856 H 0 0 0 0 0 0 0 0 0 0
26.9126 12.7778 -1.1201 H 0 0 0 0 0 0 0 0 0 0
27.1898 16.9594 -0.3175 H 0 0 0 0 0 0 0 0 0 0
28.1277 15.1318 1.0499 H 0 0 0 0 0 0 0 0 0 0
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2 3 1 0 0 0
2 4 1 0 0 0
3 5 1 6 0 0
3 6 1 0 0 0
4 7 1 1 0 0
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M END</inlineContents>
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File:ATP.gif

2006-11-28T16:07:25Z

Ahig05: Adenosine Triphosphate molecule

Adenosine Triphosphate molecule

It:Vanillin

2006-11-28T16:05:21Z

Ahig05: added synthesis methods

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''Vanillin'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:vanillin.gif]]
|-
| Chemical name
| ''4-Hydroxy-3-
methoxybenzaldehyde
|-
| CAS number
| 121-33-5
|-
| Chemical formula
| C<sub>8</sub>H<sub>8</sub>O<sub>3</sub>
|-
| Molecular mass
| 152.14 g/mol
|-
| Melting point
| 80-81°C
|-
| Boiling point
| 285°C
|-
| SMILES
| O=CC1=CC(OC)=C(O)C=C1
|-
| pKa
| 7.396
|}

==Vanillin==

Natural vanillin (or 4-hydroxy-3-methoxybenzaldehyde) is the main component of oil of vanilla, the essential oil (the fragrance of a plant) obtained from a type of orchid called ''Vanilla fragrans'' or vanilla orchid. Its formula is C<sub>8</sub>H<sub>8</sub>O<sub>3</sub> and its 3D structure is shown below:

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<inlineContents>Vanillin
WLViewer 3D 0

19 19 0 0 0 0 0 0 0 0999 V2000
11.4191 12.8675 -0.0044 O 0 0 0 0 0 0 0 0 0 1
10.1669 12.1722 -0.0027 C 0 0 0 0 0 0 0 0 0 2
12.6048 12.0611 -0.0025 C 0 0 0 0 0 0 0 0 0 3
13.7671 12.7164 -0.0020 C 0 0 0 0 0 0 0 0 0 4
12.6353 10.5423 0.0022 C 0 0 0 0 0 0 0 0 0 5
15.0368 11.9911 0.0005 C 0 0 0 0 0 0 0 0 0 6
11.4898 9.7471 0.0039 O 0 0 0 0 0 0 0 0 0 7
13.8093 9.9159 0.0043 C 0 0 0 0 0 0 0 0 0 8
16.2968 12.7160 -0.0001 C 0 0 0 0 0 0 0 0 0 9
15.0524 10.6634 0.0028 C 0 0 0 0 0 0 0 0 0 10
17.3581 12.0824 0.0007 O 0 0 0 0 0 0 0 0 0 11
9.4175 12.8342 -0.0043 H 0 0 0 0 0 0 0 0 0 0
10.1039 11.6000 0.8150 H 0 0 0 0 0 0 0 0 0 0
10.1039 11.5962 -0.8178 H 0 0 0 0 0 0 0 0 0 0
13.7700 13.7164 -0.0034 H 0 0 0 0 0 0 0 0 0 0
11.7531 8.7824 0.0070 H 0 0 0 0 0 0 0 0 0 0
13.8349 8.9162 0.0069 H 0 0 0 0 0 0 0 0 0 0
16.3049 13.7160 -0.0012 H 0 0 0 0 0 0 0 0 0 0
15.9257 10.1763 0.0035 H 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0
1 3 1 0 0 0
3 4 2 0 0 0
3 5 1 0 0 0
4 6 1 0 0 0
5 7 1 0 0 0
5 8 2 0 0 0
6 9 1 0 0 0
6 10 2 0 0 0
8 10 1 0 0 0
9 11 2 0 0 0
2 12 1 0 0 0
2 13 1 0 0 0
2 14 1 0 0 0
4 15 1 0 0 0
7 16 1 0 0 0
8 17 1 0 0 0
9 18 1 0 0 0
10 19 1 0 0 0
M END</inlineContents>
</jmolApplet>
</jmol>

Most essential oils are obtained by distilling the leaves or petals of the plant over steam but oil of vanilla is extracted from the dried, fermented seed pods.

The majority of essentials oils are usually used in the perfume industry although some are also used in the food industry, particularly to flavour foods. Vanillin is used widely in both and because of this there is not enough natural supply to meet demand and so therefore has to be synthesised. This is mainly done by the oxidation of eugenol (or 2-methoxy-4-(2-propenyl)phenol) (which can be found in oil of bay found in bay leaves) which is shown below:

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24 24 0 0 0 0 0 0 0 0999 V2000
11.4061 12.8329 -0.0055 O 0 0 0 0 0 0 0 0 0 1
10.1915 12.0800 -0.0011 C 0 0 0 0 0 0 0 0 0 2
12.6254 12.0805 -0.0043 C 0 0 0 0 0 0 0 0 0 3
13.7605 12.7840 -0.0044 C 0 0 0 0 0 0 0 0 0 4
12.7188 10.5664 0.0012 C 0 0 0 0 0 0 0 0 0 5
15.0641 12.1130 0.0008 C 0 0 0 0 0 0 0 0 0 6
11.6086 9.7220 0.0027 O 0 0 0 0 0 0 0 0 0 7
13.9171 9.9898 0.0049 C 0 0 0 0 0 0 0 0 0 8
16.3338 12.9211 0.0030 C 0 0 0 0 0 0 0 0 0 9
15.1301 10.7861 0.0048 C 0 0 0 0 0 0 0 0 0 10
17.5243 11.9965 0.0008 C 0 0 0 0 0 0 0 0 0 11
18.7586 12.4953 -0.0000 C 0 0 0 0 0 0 0 0 0 12
9.4111 12.7052 -0.0025 H 0 0 0 0 0 0 0 0 0 0
10.1571 11.5066 0.8175 H 0 0 0 0 0 0 0 0 0 0
10.1550 11.5004 -0.8153 H 0 0 0 0 0 0 0 0 0 0
13.7207 13.7832 -0.0080 H 0 0 0 0 0 0 0 0 0 0
11.9136 8.7696 0.0065 H 0 0 0 0 0 0 0 0 0 0
13.9832 8.9920 0.0078 H 0 0 0 0 0 0 0 0 0 0
16.3609 13.4997 -0.8122 H 0 0 0 0 0 0 0 0 0 0
16.3607 13.4956 0.8211 H 0 0 0 0 0 0 0 0 0 0
16.0216 10.3331 0.0077 H 0 0 0 0 0 0 0 0 0 0
17.3866 11.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0
19.5466 11.8798 -0.0015 H 0 0 0 0 0 0 0 0 0 0
18.8976 13.4856 0.0008 H 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0
1 3 1 0 0 0
3 4 2 0 0 0
3 5 1 0 0 0
4 6 1 0 0 0
5 7 1 0 0 0
5 8 2 0 0 0
6 9 1 0 0 0
6 10 2 0 0 0
8 10 1 0 0 0
9 11 1 0 0 0
11 12 2 0 0 0
2 13 1 0 0 0
2 14 1 0 0 0
2 15 1 0 0 0
4 16 1 0 0 0
7 17 1 0 0 0
8 18 1 0 0 0
9 19 1 0 0 0
9 20 1 0 0 0
10 21 1 0 0 0
11 22 1 0 0 0
12 23 1 0 0 0
12 24 1 0 0 0
M END</inlineContents>
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== Synthesis Methods ==
Vanillin was first synthesized from Eugenol, up to 1920s. Following that, it was synthesized using waste materials from wood pulp processing, from a type of sufite liquor. Later on, due to environmental concerns, this method was disused and replaced by total synthesis from Guaiacol, a petrochemical raw material. The most important of these is the reaction by Rhodia involving the electrophilic aromatic substitution using Guaiacol and Glyoxylic acid, and doing an oxylative decarboxylation to convert it into Vanillin. The production cost of Vanillin using this method is about $15/kg. New methods of synthesis have been invented recently using biological molecules, but they are not cost efficient, costing up to $700/kg.

== Spectra ==

Click on a spectrum to view

[[Image:Vanillin_IR_Spectrum_MJL.PNG||thumb|left|200|IR spectrum of Vanillin]]
[[Image:Vanillin_UV Spectrum_MJL.PNG|thumb|left|200|UV spectrum of vanillin]]
[[Image:Vanillin_Mass_Spectrum_MJL.PNG|thumb|left|200|Mass spectrum of vanillin]]

[[Image:Vanillin_synthesis_picture_MJL.gif|thumb|right|200|A reaction scheme showing how eugenol is oxidised to form vanillin]]

File:Vanillin.gif

2006-11-28T15:50:57Z

Ahig05: vanillin molecule

vanillin molecule

It:Vanillin

2006-11-28T15:50:37Z

Ahig05: added table of physical data and molecule

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''Vanillin'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:vanillin.gif]]
|-
| Chemical name
| ''4-Hydroxy-3-
methoxybenzaldehyde
|-
| CAS number
| 121-33-5
|-
| Chemical formula
| C<sub>8</sub>H<sub>8</sub>O<sub>3</sub>
|-
| Molecular mass
| 152.14 g/mol
|-
| Melting point
| 80-81°C
|-
| Boiling point
| 285°C
|-
| SMILES
| O=CC1=CC(OC)=C(O)C=C1
|-
| pKa
| 7.396
|}

== Vanillin ==

Natural vanillin (or 4-hydroxy-3-methoxybenzaldehyde) is the main component of oil of vanilla, the essential oil (the fragrance of a plant) obtained from a type of orchid called ''Vanilla fragrans'' or vanilla orchid. Its formula is C<sub>8</sub>H<sub>8</sub>O<sub>3</sub> and its 3D structure is shown below:

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WLViewer 3D 0

19 19 0 0 0 0 0 0 0 0999 V2000
11.4191 12.8675 -0.0044 O 0 0 0 0 0 0 0 0 0 1
10.1669 12.1722 -0.0027 C 0 0 0 0 0 0 0 0 0 2
12.6048 12.0611 -0.0025 C 0 0 0 0 0 0 0 0 0 3
13.7671 12.7164 -0.0020 C 0 0 0 0 0 0 0 0 0 4
12.6353 10.5423 0.0022 C 0 0 0 0 0 0 0 0 0 5
15.0368 11.9911 0.0005 C 0 0 0 0 0 0 0 0 0 6
11.4898 9.7471 0.0039 O 0 0 0 0 0 0 0 0 0 7
13.8093 9.9159 0.0043 C 0 0 0 0 0 0 0 0 0 8
16.2968 12.7160 -0.0001 C 0 0 0 0 0 0 0 0 0 9
15.0524 10.6634 0.0028 C 0 0 0 0 0 0 0 0 0 10
17.3581 12.0824 0.0007 O 0 0 0 0 0 0 0 0 0 11
9.4175 12.8342 -0.0043 H 0 0 0 0 0 0 0 0 0 0
10.1039 11.6000 0.8150 H 0 0 0 0 0 0 0 0 0 0
10.1039 11.5962 -0.8178 H 0 0 0 0 0 0 0 0 0 0
13.7700 13.7164 -0.0034 H 0 0 0 0 0 0 0 0 0 0
11.7531 8.7824 0.0070 H 0 0 0 0 0 0 0 0 0 0
13.8349 8.9162 0.0069 H 0 0 0 0 0 0 0 0 0 0
16.3049 13.7160 -0.0012 H 0 0 0 0 0 0 0 0 0 0
15.9257 10.1763 0.0035 H 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0
1 3 1 0 0 0
3 4 2 0 0 0
3 5 1 0 0 0
4 6 1 0 0 0
5 7 1 0 0 0
5 8 2 0 0 0
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6 10 2 0 0 0
8 10 1 0 0 0
9 11 2 0 0 0
2 12 1 0 0 0
2 13 1 0 0 0
2 14 1 0 0 0
4 15 1 0 0 0
7 16 1 0 0 0
8 17 1 0 0 0
9 18 1 0 0 0
10 19 1 0 0 0
M END</inlineContents>
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Most essential oils are obtained by distilling the leaves or petals of the plant over steam but oil of vanilla is extracted from the dried, fermented seed pods.

The majority of essentials oils are usually used in the perfume industry although some are also used in the food industry, particularly to flavour foods. Vanillin is used widely in both and because of this there is not enough natural supply to meet demand and so therefore has to be synthesised. This is mainly done by the oxidation of eugenol (or 2-methoxy-4-(2-propenyl)phenol) (which can be found in oil of bay found in bay leaves) which is shown below:

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WLViewer 3D 0

24 24 0 0 0 0 0 0 0 0999 V2000
11.4061 12.8329 -0.0055 O 0 0 0 0 0 0 0 0 0 1
10.1915 12.0800 -0.0011 C 0 0 0 0 0 0 0 0 0 2
12.6254 12.0805 -0.0043 C 0 0 0 0 0 0 0 0 0 3
13.7605 12.7840 -0.0044 C 0 0 0 0 0 0 0 0 0 4
12.7188 10.5664 0.0012 C 0 0 0 0 0 0 0 0 0 5
15.0641 12.1130 0.0008 C 0 0 0 0 0 0 0 0 0 6
11.6086 9.7220 0.0027 O 0 0 0 0 0 0 0 0 0 7
13.9171 9.9898 0.0049 C 0 0 0 0 0 0 0 0 0 8
16.3338 12.9211 0.0030 C 0 0 0 0 0 0 0 0 0 9
15.1301 10.7861 0.0048 C 0 0 0 0 0 0 0 0 0 10
17.5243 11.9965 0.0008 C 0 0 0 0 0 0 0 0 0 11
18.7586 12.4953 -0.0000 C 0 0 0 0 0 0 0 0 0 12
9.4111 12.7052 -0.0025 H 0 0 0 0 0 0 0 0 0 0
10.1571 11.5066 0.8175 H 0 0 0 0 0 0 0 0 0 0
10.1550 11.5004 -0.8153 H 0 0 0 0 0 0 0 0 0 0
13.7207 13.7832 -0.0080 H 0 0 0 0 0 0 0 0 0 0
11.9136 8.7696 0.0065 H 0 0 0 0 0 0 0 0 0 0
13.9832 8.9920 0.0078 H 0 0 0 0 0 0 0 0 0 0
16.3609 13.4997 -0.8122 H 0 0 0 0 0 0 0 0 0 0
16.3607 13.4956 0.8211 H 0 0 0 0 0 0 0 0 0 0
16.0216 10.3331 0.0077 H 0 0 0 0 0 0 0 0 0 0
17.3866 11.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0
19.5466 11.8798 -0.0015 H 0 0 0 0 0 0 0 0 0 0
18.8976 13.4856 0.0008 H 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0
1 3 1 0 0 0
3 4 2 0 0 0
3 5 1 0 0 0
4 6 1 0 0 0
5 7 1 0 0 0
5 8 2 0 0 0
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6 10 2 0 0 0
8 10 1 0 0 0
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11 12 2 0 0 0
2 13 1 0 0 0
2 14 1 0 0 0
2 15 1 0 0 0
4 16 1 0 0 0
7 17 1 0 0 0
8 18 1 0 0 0
9 19 1 0 0 0
9 20 1 0 0 0
10 21 1 0 0 0
11 22 1 0 0 0
12 23 1 0 0 0
12 24 1 0 0 0
M END</inlineContents>
</jmolApplet>
</jmol>

[[Image:Vanillin_synthesis_picture_MJL.gif|thumb|right|200|A reaction scheme showing how eugenol is oxidised to form vanillin]]

== Spectra ==

Click on a spectrum to view

[[Image:Vanillin_IR_Spectrum_MJL.PNG||thumb|left|200|IR spectrum of Vanillin]]
[[Image:Vanillin_UV Spectrum_MJL.PNG|thumb|left|200|UV spectrum of vanillin]]
[[Image:Vanillin_Mass_Spectrum_MJL.PNG|thumb|left|200|Mass spectrum of vanillin]]

It:Beta Carotene

2006-11-28T15:33:05Z

Ahig05: added roche synthesis

==General Information==
Beta-carotene belongs to a family of natural chemicals known as carotenes which is widely found in plants, fruits and vegetables which are orange red in colour.

Beta-carotene is used by the body to make retinol, which is required for healthy vision. As excessive amounts of dietary vitamin A is toxic, beta carotene is a safer supplement because the body will only convert the need amounts of carotene into vitamin A, thus not poisoning the body. Beta-carotene is an antioxidant and protects the body by reacting with free radicals to prevent oxidation.

Beta-carotene is also used to treat sun sensitivity and Scleroderma. However, people are known to suffer from side effects when taking excessive amounts of beta-carotene. These effects include skin discolouration, bruising and joint pains.

== '''Structure of Beta Carotene''' ==

=== '''3D Sructure''' ===
<jmol>
<jmolApplet>
<size>300</size>
<color>black</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>
HEADER NONAME 30-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 30-Oct-06 0 NONE 4
ATOM 1 C 0 -11.746 -1.374 1.712 0.00 0.00 C+0
ATOM 2 C 0 -12.430 -0.642 0.556 0.00 0.00 C+0
ATOM 3 C 0 -13.083 -1.665 -0.377 0.00 0.00 C+0
ATOM 4 C 0 -13.505 0.294 1.113 0.00 0.00 C+0
ATOM 5 C 0 -14.003 1.195 -0.024 0.00 0.00 C+0
ATOM 6 C 0 -12.872 2.147 -0.421 0.00 0.00 C+0
ATOM 7 C 0 -11.604 1.377 -0.646 0.00 0.00 C+0
ATOM 8 C 0 -10.492 2.047 -1.412 0.00 0.00 C+0
ATOM 9 C 0 -11.407 0.146 -0.209 0.00 0.00 C+0
ATOM 10 C 0 -10.159 -0.469 -0.480 0.00 0.00 C+0
ATOM 11 C 0 -9.007 0.119 -0.062 0.00 0.00 C+0
ATOM 12 C 0 -7.768 -0.472 -0.362 0.00 0.00 C+0
ATOM 13 C 0 -7.716 -1.758 -1.147 0.00 0.00 C+0
ATOM 14 C 0 -6.610 0.118 0.057 0.00 0.00 C+0
ATOM 15 C 0 -5.373 -0.430 -0.306 0.00 0.00 C+0
ATOM 16 C 0 -4.208 0.103 0.201 0.00 0.00 C+0
ATOM 17 C 0 -2.972 -0.444 -0.162 0.00 0.00 C+0
ATOM 18 C 0 -2.915 -1.617 -1.106 0.00 0.00 C+0
ATOM 19 C 0 -1.806 0.090 0.345 0.00 0.00 C+0
ATOM 20 C 0 -0.568 -0.377 -0.108 0.00 0.00 C+0
ATOM 21 C 0 0.596 0.084 0.470 0.00 0.00 C+0
ATOM 22 C 0 1.834 -0.383 0.016 0.00 0.00 C+0
ATOM 23 C 0 2.998 0.078 0.594 0.00 0.00 C+0
ATOM 24 C 0 2.936 1.085 1.714 0.00 0.00 C+0
ATOM 25 C 0 4.237 -0.389 0.140 0.00 0.00 C+0
ATOM 26 C 0 5.401 0.147 0.644 0.00 0.00 C+0
ATOM 27 C 0 6.638 -0.236 0.108 0.00 0.00 C+0
ATOM 28 C 0 7.792 0.296 0.607 0.00 0.00 C+0
ATOM 29 C 0 7.737 1.294 1.735 0.00 0.00 C+0
ATOM 30 C 0 9.033 -0.088 0.069 0.00 0.00 C+0
ATOM 31 C 0 10.178 0.488 0.522 0.00 0.00 C+0
ATOM 32 C 0 11.434 0.047 0.035 0.00 0.00 C+0
ATOM 33 C 0 11.754 -1.226 0.197 0.00 0.00 C+0
ATOM 34 C 0 10.759 -2.128 0.880 0.00 0.00 C+0
ATOM 35 C 0 13.053 -1.823 -0.262 0.00 0.00 C+0
ATOM 36 C 0 13.726 -0.900 -1.280 0.00 0.00 C+0
ATOM 37 C 0 13.759 0.520 -0.703 0.00 0.00 C+0
ATOM 38 C 0 12.323 1.050 -0.640 0.00 0.00 C+0
ATOM 39 C 0 11.818 1.314 -2.060 0.00 0.00 C+0
ATOM 40 C 0 12.299 2.357 0.155 0.00 0.00 C+0
ATOM 41 H 0 -11.050 -2.112 1.314 0.00 0.00 H+0
ATOM 42 H 0 -11.203 -0.656 2.326 0.00 0.00 H+0
ATOM 43 H 0 -12.499 -1.876 2.321 0.00 0.00 H+0
ATOM 44 H 0 -13.823 -2.242 0.178 0.00 0.00 H+0
ATOM 45 H 0 -13.571 -1.146 -1.201 0.00 0.00 H+0
ATOM 46 H 0 -12.320 -2.336 -0.771 0.00 0.00 H+0
ATOM 47 H 0 -14.335 -0.293 1.505 0.00 0.00 H+0
ATOM 48 H 0 -13.080 0.908 1.907 0.00 0.00 H+0
ATOM 49 H 0 -14.283 0.582 -0.881 0.00 0.00 H+0
ATOM 50 H 0 -14.864 1.771 0.315 0.00 0.00 H+0
ATOM 51 H 0 -13.145 2.670 -1.337 0.00 0.00 H+0
ATOM 52 H 0 -12.717 2.875 0.375 0.00 0.00 H+0
ATOM 53 H 0 -10.821 3.032 -1.744 0.00 0.00 H+0
ATOM 54 H 0 -9.620 2.153 -0.767 0.00 0.00 H+0
ATOM 55 H 0 -10.231 1.440 -2.279 0.00 0.00 H+0
ATOM 56 H 0 -10.124 -1.404 -1.018 0.00 0.00 H+0
ATOM 57 H 0 -9.044 1.040 0.500 0.00 0.00 H+0
ATOM 58 H 0 -8.541 -1.782 -1.859 0.00 0.00 H+0
ATOM 59 H 0 -6.770 -1.818 -1.684 0.00 0.00 H+0
ATOM 60 H 0 -7.801 -2.604 -0.464 0.00 0.00 H+0
ATOM 61 H 0 -6.649 1.007 0.669 0.00 0.00 H+0
ATOM 62 H 0 -5.332 -1.271 -0.983 0.00 0.00 H+0
ATOM 63 H 0 -4.249 0.944 0.878 0.00 0.00 H+0
ATOM 64 H 0 -2.794 -1.255 -2.127 0.00 0.00 H+0
ATOM 65 H 0 -2.071 -2.254 -0.844 0.00 0.00 H+0
ATOM 66 H 0 -3.840 -2.189 -1.031 0.00 0.00 H+0
ATOM 67 H 0 -1.849 0.868 1.093 0.00 0.00 H+0
ATOM 68 H 0 -0.524 -1.098 -0.911 0.00 0.00 H+0
ATOM 69 H 0 0.552 0.805 1.272 0.00 0.00 H+0
ATOM 70 H 0 1.878 -1.104 -0.786 0.00 0.00 H+0
ATOM 71 H 0 3.947 1.392 1.982 0.00 0.00 H+0
ATOM 72 H 0 2.366 1.955 1.389 0.00 0.00 H+0
ATOM 73 H 0 2.451 0.635 2.580 0.00 0.00 H+0
ATOM 74 H 0 4.280 -1.170 -0.605 0.00 0.00 H+0
ATOM 75 H 0 5.361 0.862 1.452 0.00 0.00 H+0
ATOM 76 H 0 6.678 -0.951 -0.701 0.00 0.00 H+0
ATOM 77 H 0 8.750 1.554 2.040 0.00 0.00 H+0
ATOM 78 H 0 7.216 2.191 1.400 0.00 0.00 H+0
ATOM 79 H 0 7.203 0.858 2.579 0.00 0.00 H+0
ATOM 80 H 0 9.077 -0.840 -0.705 0.00 0.00 H+0
ATOM 81 H 0 10.130 1.281 1.254 0.00 0.00 H+0
ATOM 82 H 0 10.077 -2.545 0.139 0.00 0.00 H+0
ATOM 83 H 0 11.288 -2.938 1.383 0.00 0.00 H+0
ATOM 84 H 0 10.192 -1.555 1.613 0.00 0.00 H+0
ATOM 85 H 0 13.712 -1.957 0.595 0.00 0.00 H+0
ATOM 86 H 0 12.862 -2.792 -0.724 0.00 0.00 H+0
ATOM 87 H 0 14.743 -1.243 -1.468 0.00 0.00 H+0
ATOM 88 H 0 13.157 -0.904 -2.210 0.00 0.00 H+0
ATOM 89 H 0 14.190 0.499 0.299 0.00 0.00 H+0
ATOM 90 H 0 14.358 1.164 -1.347 0.00 0.00 H+0
ATOM 91 H 0 11.840 0.387 -2.632 0.00 0.00 H+0
ATOM 92 H 0 10.796 1.691 -2.018 0.00 0.00 H+0
ATOM 93 H 0 12.458 2.053 -2.542 0.00 0.00 H+0
ATOM 94 H 0 13.011 3.059 -0.278 0.00 0.00 H+0
ATOM 95 H 0 11.297 2.786 0.119 0.00 0.00 H+0
ATOM 96 H 0 12.570 2.156 1.192 0.00 0.00 H+0
CONECT 1 2 41 42 43 NONE 101
CONECT 2 1 9 3 4 NONE 102
CONECT 3 2 44 45 46 NONE 103
CONECT 4 2 5 47 48 NONE 104
CONECT 5 4 6 49 50 NONE 105
CONECT 6 5 7 51 52 NONE 106
CONECT 7 6 8 9 0 NONE 107
CONECT 8 7 53 54 55 NONE 108
CONECT 9 7 2 10 0 NONE 109
CONECT 10 9 11 56 0 NONE 110
CONECT 11 10 12 57 0 NONE 111
CONECT 12 11 13 14 0 NONE 112
CONECT 13 12 58 59 60 NONE 113
CONECT 14 12 15 61 0 NONE 114
CONECT 15 14 16 62 0 NONE 115
CONECT 16 15 17 63 0 NONE 116
CONECT 17 16 18 19 0 NONE 117
CONECT 18 17 64 65 66 NONE 118
CONECT 19 17 20 67 0 NONE 119
CONECT 20 19 21 68 0 NONE 120
CONECT 21 20 22 69 0 NONE 121
CONECT 22 21 23 70 0 NONE 122
CONECT 23 22 24 25 0 NONE 123
CONECT 24 23 71 72 73 NONE 124
CONECT 25 23 26 74 0 NONE 125
CONECT 26 25 27 75 0 NONE 126
CONECT 27 26 28 76 0 NONE 127
CONECT 28 27 29 30 0 NONE 128
CONECT 29 28 77 78 79 NONE 129
CONECT 30 28 31 80 0 NONE 130
CONECT 31 30 32 81 0 NONE 131
CONECT 32 31 38 33 0 NONE 132
CONECT 33 32 34 35 0 NONE 133
CONECT 34 33 82 83 84 NONE 134
CONECT 35 33 36 85 86 NONE 135
CONECT 36 35 37 87 88 NONE 136
CONECT 37 36 38 89 90 NONE 137
CONECT 38 37 32 39 40 NONE 138
CONECT 39 38 91 92 93 NONE 139
CONECT 40 38 94 95 96 NONE 140
END</inlineContents>
</jmolApplet>
</jmol>

=== '''2D Sructure''' ===
[[Image:BCarotene.JPG|jpg|centre|200|2D Structure]]

BCarotene.JPG
== '''Properties of Beta Carotene''' ==

{| class="toccolours" border="1" style="fix: left; clear: left; margin: 0 0 1em 1em; border-collapse: collapse;"
|-
| align="centre" colspan="3" bgcolor="lt blue" |'''Properites'''
|-
|colspan="1"|IUPAC Systematic Name
|colspan="2"|3,7,12,16-tetramethyl-1,18-bis(2,6,6-trimethyl-1-cyclohexenyl)-octadec
a-1,3,5,7,9,11,13,15,17-nonaene
|-
|colspan="1"|Chemical Name
|colspan="2"|Beta Carotene
|-
|colspan="1"|Synonyms
|colspan="2"|Provitamin A, Provatene, Natural Yellow
|-
|colspan="1"|Molecular formula
|colspan="2"|C<sub>40</sub>H<sub>56
|-
|colspan="1"|Molecular Mass
|colspan="2"|536.87 gmol<sup>-1</sup>
|-
|colspan="1"|Melting Point
|colspan="2"|180 - 182<sup>o</sup>C
|-
|colspan="1"|Solubility
|colspan="2"|Fat soluble, practically insoluble in water
|-
|colspan="1"|Type of Substance
|colspan="2"|Carotenoid
|-
|colspan="1"|CAS Registry Number
|colspan="2"|[http://www.emolecules.com/cgi-bin/search?t=ss&q=beta+carotene 7235-40-7]
|-
|colspan="1"|SMILES string
|colspan="2"|CC2(C)CCCC(\C)=C2\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(/C)CCCC1(C)C
|-
|colspan="1"|Colour
|colspan="2"|Dark Red to Brown
|-
|}

== '''UV-Vis Spectra of Beta Carotene''' ==

[[Image:SpectraCarotene.jpg|jpg|centre|200|UV-Vis Spectra of Beta Carotene]]

The spectra shows a maxima at approximately 440nm, which corresponds to the absorption of blue light and so the chemical appears orange.

== '''Synthesising Beta Carotene''' ==

[[Image:BASFcarotene.jpg|jpg|centre|200|BASF Synthesis of Beta Carotene]]

=== '''Synthetic Route''' ===

This [http://www.chm.bris.ac.uk/motm/carotene/beta-carotene_synthesis.html mechanism] was developed by the Badische Anilin- & Soda-Fabrik ( BASF) and is based on the Wittig reaction. The general process involves reacting a ylide with an aldehyde or ketone, and the resultant is an alkene. The posphonium molecule is overall neutral and reacts with the aldehyde; in this case retinal, a chromophore found in photoreceptor cells of the retina. The reaction involves the formation of a 4 membered ring intermediate. The prcess is driven by the very stable and strong formation of a phosphine oxide bond (P=O). once this is eliminated, the alkene has formed i.e. beta carotene.

Beta Carotene can also be synthesised by using a Grignard reagent.

=== Roche Synthesis of Beta-Carotene ===
[[image:roche.gif|gif|centre|200]]
Image taken from http://www.chm.bris.ac.uk/motm/carotene/

This synthesis of beta-carotene was developed later by F. Hoffman-La Roche & Co. Ltd. It is a symmetrical reaction using two C19 chains combined with a C2 Grignard reactant to give a C40 carotene chain.

== '''IR Spectra of Beta Carotene''' ==

[[Image:IRcarotene.JPG|jpg|centre|200|IR Spectra of Beta Carotene]]

== '''References''' ==

1. Zechmeister; Pinckard (J. Am. Chem. Soc), 1947

2. Caris-Veyrat, Catherine; Amiot, Marie-Josephe; Ramasseul, Rene; Marchon, Jean-Claude (New J. Chem), 2001.

3. http://www.par-chem.com

4. http://www.chm.bris.ac.uk/motm/carotene/beta-carotene_synthesis.html

5. http://www.sigmaaldrich.com

6. http://www.emolecules.com

File:Roche.gif

2006-11-28T15:27:01Z

Ahig05: roche synthhesis of b-carotene

roche synthhesis of b-carotene

It:Beta Carotene

2006-11-28T15:25:11Z

Ahig05: wrote general information

==General Information==
Beta-carotene belongs to a family of natural chemicals known as carotenes which is widely found in plants, fruits and vegetables which are orange red in colour.

Beta-carotene is used by the body to make retinol, which is required for healthy vision. As excessive amounts of dietary vitamin A is toxic, beta carotene is a safer supplement because the body will only convert the need amounts of carotene into vitamin A, thus not poisoning the body. Beta-carotene is an antioxidant and protects the body by reacting with free radicals to prevent oxidation.

Beta-carotene is also used to treat sun sensitivity and Scleroderma. However, people are known to suffer from side effects when taking excessive amounts of beta-carotene. These effects include skin discolouration, bruising and joint pains.

== '''Structure of Beta Carotene''' ==

=== '''3D Sructure''' ===
<jmol>
<jmolApplet>
<size>300</size>
<color>black</color>
<script>zoom 100; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>
HEADER NONAME 30-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 30-Oct-06 0 NONE 4
ATOM 1 C 0 -11.746 -1.374 1.712 0.00 0.00 C+0
ATOM 2 C 0 -12.430 -0.642 0.556 0.00 0.00 C+0
ATOM 3 C 0 -13.083 -1.665 -0.377 0.00 0.00 C+0
ATOM 4 C 0 -13.505 0.294 1.113 0.00 0.00 C+0
ATOM 5 C 0 -14.003 1.195 -0.024 0.00 0.00 C+0
ATOM 6 C 0 -12.872 2.147 -0.421 0.00 0.00 C+0
ATOM 7 C 0 -11.604 1.377 -0.646 0.00 0.00 C+0
ATOM 8 C 0 -10.492 2.047 -1.412 0.00 0.00 C+0
ATOM 9 C 0 -11.407 0.146 -0.209 0.00 0.00 C+0
ATOM 10 C 0 -10.159 -0.469 -0.480 0.00 0.00 C+0
ATOM 11 C 0 -9.007 0.119 -0.062 0.00 0.00 C+0
ATOM 12 C 0 -7.768 -0.472 -0.362 0.00 0.00 C+0
ATOM 13 C 0 -7.716 -1.758 -1.147 0.00 0.00 C+0
ATOM 14 C 0 -6.610 0.118 0.057 0.00 0.00 C+0
ATOM 15 C 0 -5.373 -0.430 -0.306 0.00 0.00 C+0
ATOM 16 C 0 -4.208 0.103 0.201 0.00 0.00 C+0
ATOM 17 C 0 -2.972 -0.444 -0.162 0.00 0.00 C+0
ATOM 18 C 0 -2.915 -1.617 -1.106 0.00 0.00 C+0
ATOM 19 C 0 -1.806 0.090 0.345 0.00 0.00 C+0
ATOM 20 C 0 -0.568 -0.377 -0.108 0.00 0.00 C+0
ATOM 21 C 0 0.596 0.084 0.470 0.00 0.00 C+0
ATOM 22 C 0 1.834 -0.383 0.016 0.00 0.00 C+0
ATOM 23 C 0 2.998 0.078 0.594 0.00 0.00 C+0
ATOM 24 C 0 2.936 1.085 1.714 0.00 0.00 C+0
ATOM 25 C 0 4.237 -0.389 0.140 0.00 0.00 C+0
ATOM 26 C 0 5.401 0.147 0.644 0.00 0.00 C+0
ATOM 27 C 0 6.638 -0.236 0.108 0.00 0.00 C+0
ATOM 28 C 0 7.792 0.296 0.607 0.00 0.00 C+0
ATOM 29 C 0 7.737 1.294 1.735 0.00 0.00 C+0
ATOM 30 C 0 9.033 -0.088 0.069 0.00 0.00 C+0
ATOM 31 C 0 10.178 0.488 0.522 0.00 0.00 C+0
ATOM 32 C 0 11.434 0.047 0.035 0.00 0.00 C+0
ATOM 33 C 0 11.754 -1.226 0.197 0.00 0.00 C+0
ATOM 34 C 0 10.759 -2.128 0.880 0.00 0.00 C+0
ATOM 35 C 0 13.053 -1.823 -0.262 0.00 0.00 C+0
ATOM 36 C 0 13.726 -0.900 -1.280 0.00 0.00 C+0
ATOM 37 C 0 13.759 0.520 -0.703 0.00 0.00 C+0
ATOM 38 C 0 12.323 1.050 -0.640 0.00 0.00 C+0
ATOM 39 C 0 11.818 1.314 -2.060 0.00 0.00 C+0
ATOM 40 C 0 12.299 2.357 0.155 0.00 0.00 C+0
ATOM 41 H 0 -11.050 -2.112 1.314 0.00 0.00 H+0
ATOM 42 H 0 -11.203 -0.656 2.326 0.00 0.00 H+0
ATOM 43 H 0 -12.499 -1.876 2.321 0.00 0.00 H+0
ATOM 44 H 0 -13.823 -2.242 0.178 0.00 0.00 H+0
ATOM 45 H 0 -13.571 -1.146 -1.201 0.00 0.00 H+0
ATOM 46 H 0 -12.320 -2.336 -0.771 0.00 0.00 H+0
ATOM 47 H 0 -14.335 -0.293 1.505 0.00 0.00 H+0
ATOM 48 H 0 -13.080 0.908 1.907 0.00 0.00 H+0
ATOM 49 H 0 -14.283 0.582 -0.881 0.00 0.00 H+0
ATOM 50 H 0 -14.864 1.771 0.315 0.00 0.00 H+0
ATOM 51 H 0 -13.145 2.670 -1.337 0.00 0.00 H+0
ATOM 52 H 0 -12.717 2.875 0.375 0.00 0.00 H+0
ATOM 53 H 0 -10.821 3.032 -1.744 0.00 0.00 H+0
ATOM 54 H 0 -9.620 2.153 -0.767 0.00 0.00 H+0
ATOM 55 H 0 -10.231 1.440 -2.279 0.00 0.00 H+0
ATOM 56 H 0 -10.124 -1.404 -1.018 0.00 0.00 H+0
ATOM 57 H 0 -9.044 1.040 0.500 0.00 0.00 H+0
ATOM 58 H 0 -8.541 -1.782 -1.859 0.00 0.00 H+0
ATOM 59 H 0 -6.770 -1.818 -1.684 0.00 0.00 H+0
ATOM 60 H 0 -7.801 -2.604 -0.464 0.00 0.00 H+0
ATOM 61 H 0 -6.649 1.007 0.669 0.00 0.00 H+0
ATOM 62 H 0 -5.332 -1.271 -0.983 0.00 0.00 H+0
ATOM 63 H 0 -4.249 0.944 0.878 0.00 0.00 H+0
ATOM 64 H 0 -2.794 -1.255 -2.127 0.00 0.00 H+0
ATOM 65 H 0 -2.071 -2.254 -0.844 0.00 0.00 H+0
ATOM 66 H 0 -3.840 -2.189 -1.031 0.00 0.00 H+0
ATOM 67 H 0 -1.849 0.868 1.093 0.00 0.00 H+0
ATOM 68 H 0 -0.524 -1.098 -0.911 0.00 0.00 H+0
ATOM 69 H 0 0.552 0.805 1.272 0.00 0.00 H+0
ATOM 70 H 0 1.878 -1.104 -0.786 0.00 0.00 H+0
ATOM 71 H 0 3.947 1.392 1.982 0.00 0.00 H+0
ATOM 72 H 0 2.366 1.955 1.389 0.00 0.00 H+0
ATOM 73 H 0 2.451 0.635 2.580 0.00 0.00 H+0
ATOM 74 H 0 4.280 -1.170 -0.605 0.00 0.00 H+0
ATOM 75 H 0 5.361 0.862 1.452 0.00 0.00 H+0
ATOM 76 H 0 6.678 -0.951 -0.701 0.00 0.00 H+0
ATOM 77 H 0 8.750 1.554 2.040 0.00 0.00 H+0
ATOM 78 H 0 7.216 2.191 1.400 0.00 0.00 H+0
ATOM 79 H 0 7.203 0.858 2.579 0.00 0.00 H+0
ATOM 80 H 0 9.077 -0.840 -0.705 0.00 0.00 H+0
ATOM 81 H 0 10.130 1.281 1.254 0.00 0.00 H+0
ATOM 82 H 0 10.077 -2.545 0.139 0.00 0.00 H+0
ATOM 83 H 0 11.288 -2.938 1.383 0.00 0.00 H+0
ATOM 84 H 0 10.192 -1.555 1.613 0.00 0.00 H+0
ATOM 85 H 0 13.712 -1.957 0.595 0.00 0.00 H+0
ATOM 86 H 0 12.862 -2.792 -0.724 0.00 0.00 H+0
ATOM 87 H 0 14.743 -1.243 -1.468 0.00 0.00 H+0
ATOM 88 H 0 13.157 -0.904 -2.210 0.00 0.00 H+0
ATOM 89 H 0 14.190 0.499 0.299 0.00 0.00 H+0
ATOM 90 H 0 14.358 1.164 -1.347 0.00 0.00 H+0
ATOM 91 H 0 11.840 0.387 -2.632 0.00 0.00 H+0
ATOM 92 H 0 10.796 1.691 -2.018 0.00 0.00 H+0
ATOM 93 H 0 12.458 2.053 -2.542 0.00 0.00 H+0
ATOM 94 H 0 13.011 3.059 -0.278 0.00 0.00 H+0
ATOM 95 H 0 11.297 2.786 0.119 0.00 0.00 H+0
ATOM 96 H 0 12.570 2.156 1.192 0.00 0.00 H+0
CONECT 1 2 41 42 43 NONE 101
CONECT 2 1 9 3 4 NONE 102
CONECT 3 2 44 45 46 NONE 103
CONECT 4 2 5 47 48 NONE 104
CONECT 5 4 6 49 50 NONE 105
CONECT 6 5 7 51 52 NONE 106
CONECT 7 6 8 9 0 NONE 107
CONECT 8 7 53 54 55 NONE 108
CONECT 9 7 2 10 0 NONE 109
CONECT 10 9 11 56 0 NONE 110
CONECT 11 10 12 57 0 NONE 111
CONECT 12 11 13 14 0 NONE 112
CONECT 13 12 58 59 60 NONE 113
CONECT 14 12 15 61 0 NONE 114
CONECT 15 14 16 62 0 NONE 115
CONECT 16 15 17 63 0 NONE 116
CONECT 17 16 18 19 0 NONE 117
CONECT 18 17 64 65 66 NONE 118
CONECT 19 17 20 67 0 NONE 119
CONECT 20 19 21 68 0 NONE 120
CONECT 21 20 22 69 0 NONE 121
CONECT 22 21 23 70 0 NONE 122
CONECT 23 22 24 25 0 NONE 123
CONECT 24 23 71 72 73 NONE 124
CONECT 25 23 26 74 0 NONE 125
CONECT 26 25 27 75 0 NONE 126
CONECT 27 26 28 76 0 NONE 127
CONECT 28 27 29 30 0 NONE 128
CONECT 29 28 77 78 79 NONE 129
CONECT 30 28 31 80 0 NONE 130
CONECT 31 30 32 81 0 NONE 131
CONECT 32 31 38 33 0 NONE 132
CONECT 33 32 34 35 0 NONE 133
CONECT 34 33 82 83 84 NONE 134
CONECT 35 33 36 85 86 NONE 135
CONECT 36 35 37 87 88 NONE 136
CONECT 37 36 38 89 90 NONE 137
CONECT 38 37 32 39 40 NONE 138
CONECT 39 38 91 92 93 NONE 139
CONECT 40 38 94 95 96 NONE 140
END</inlineContents>
</jmolApplet>
</jmol>

=== '''2D Sructure''' ===
[[Image:BCarotene.JPG|jpg|centre|200|2D Structure]]

BCarotene.JPG
== '''Properties of Beta Carotene''' ==

{| class="toccolours" border="1" style="fix: left; clear: left; margin: 0 0 1em 1em; border-collapse: collapse;"
|-
| align="centre" colspan="3" bgcolor="lt blue" |'''Properites'''
|-
|colspan="1"|IUPAC Systematic Name
|colspan="2"|3,7,12,16-tetramethyl-1,18-bis(2,6,6-trimethyl-1-cyclohexenyl)-octadec
a-1,3,5,7,9,11,13,15,17-nonaene
|-
|colspan="1"|Chemical Name
|colspan="2"|Beta Carotene
|-
|colspan="1"|Synonyms
|colspan="2"|Provitamin A, Provatene, Natural Yellow
|-
|colspan="1"|Molecular formula
|colspan="2"|C<sub>40</sub>H<sub>56
|-
|colspan="1"|Molecular Mass
|colspan="2"|536.87 gmol<sup>-1</sup>
|-
|colspan="1"|Melting Point
|colspan="2"|180 - 182<sup>o</sup>C
|-
|colspan="1"|Solubility
|colspan="2"|Fat soluble, practically insoluble in water
|-
|colspan="1"|Type of Substance
|colspan="2"|Carotenoid
|-
|colspan="1"|CAS Registry Number
|colspan="2"|[http://www.emolecules.com/cgi-bin/search?t=ss&q=beta+carotene 7235-40-7]
|-
|colspan="1"|SMILES string
|colspan="2"|CC2(C)CCCC(\C)=C2\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(/C)CCCC1(C)C
|-
|colspan="1"|Colour
|colspan="2"|Dark Red to Brown
|-
|}

== '''UV-Vis Spectra of Beta Carotene''' ==

[[Image:SpectraCarotene.jpg|jpg|centre|200|UV-Vis Spectra of Beta Carotene]]

The spectra shows a maxima at approximately 440nm, which corresponds to the absorption of blue light and so the chemical appears orange.

== '''Synthesising Beta Carotene''' ==

[[Image:BASFcarotene.jpg|jpg|centre|200|BASF Synthesis of Beta Carotene]]

=== '''Synthetic Route''' ===

This [http://www.chm.bris.ac.uk/motm/carotene/beta-carotene_synthesis.html mechanism] was developed by the Badische Anilin- & Soda-Fabrik ( BASF) and is based on the Wittig reaction. The general process involves reacting a ylide with an aldehyde or ketone, and the resultant is an alkene. The posphonium molecule is overall neutral and reacts with the aldehyde; in this case retinal, a chromophore found in photoreceptor cells of the retina. The reaction involves the formation of a 4 membered ring intermediate. The prcess is driven by the very stable and strong formation of a phosphine oxide bond (P=O). once this is eliminated, the alkene has formed i.e. beta carotene.

Beta Carotene can also be synthesised by using a Grignard reagent.

== '''IR Spectra of Beta Carotene''' ==

[[Image:IRcarotene.JPG|jpg|centre|200|IR Spectra of Beta Carotene]]

== '''References''' ==

1. Zechmeister; Pinckard (J. Am. Chem. Soc), 1947

2. Caris-Veyrat, Catherine; Amiot, Marie-Josephe; Ramasseul, Rene; Marchon, Jean-Claude (New J. Chem), 2001.

3. http://www.par-chem.com

4. http://www.chm.bris.ac.uk/motm/carotene/beta-carotene_synthesis.html

5. http://www.sigmaaldrich.com

6. http://www.emolecules.com

It:Ceftriaxone

2006-11-28T15:06:43Z

Ahig05: added mode of action

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}} colspan="3" |Ceftriaxone
|-
! {{chembox header}} colspan="3" |Structure
|-
| align="center" colspan="3" bgcolor="#ffffff" | [[Image:Ceftriaxone.png|200px|Ceftriaxone]]
|-
! {{chembox header}} colspan="3" |3D structure
|-
| align="center" colspan="3" bgcolor="#ffffff" | <jmol>
<jmolApplet>
<size>200</size>
<color>white</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>REMARK MSI WebLab Viewer PDB file
REMARK Created: Fri Oct 20 12:51:30 GMT Standard Time 2006
ATOM 1 N 0 -9.077 1.857 -0.122 0.00 0.00
ATOM 2 C 0 -8.278 0.728 -0.196 0.00 0.00
ATOM 3 N 0 -6.981 0.610 0.017 0.00 0.00
ATOM 4 C 0 -6.368 -0.567 -0.099 0.00 0.00
ATOM 5 C 0 -4.914 -0.681 0.144 0.00 0.00
ATOM 6 C 0 -4.077 0.540 0.215 0.00 0.00
ATOM 7 N 0 -2.751 0.436 0.436 0.00 0.00
ATOM 8 C 0 -1.924 1.643 0.507 0.00 0.00
ATOM 9 H 0 -2.488 2.527 0.804 0.00 0.00
ATOM 10 C 0 -0.628 1.452 1.290 0.00 0.00
ATOM 11 H 0 -0.366 2.265 1.966 0.00 0.00
ATOM 12 N 0 0.045 1.470 -0.046 0.00 0.00
ATOM 13 C 0 1.350 1.029 -0.326 0.00 0.00
ATOM 14 C 0 2.034 1.452 -1.561 0.00 0.00
ATOM 15 O 0 2.018 0.656 -2.648 0.00 0.00
ATOM 16 O 0 2.613 2.520 -1.599 0.00 0.00
ATOM 17 C 0 1.957 0.225 0.538 0.00 0.00
ATOM 18 C 0 3.333 -0.248 0.144 0.00 0.00
ATOM 19 S 0 4.579 0.682 1.072 0.00 0.00
ATOM 20 C 0 6.047 -0.054 0.434 0.00 0.00
ATOM 21 N 0 5.952 -1.008 -0.472 0.00 0.00
ATOM 22 C 0 7.050 -1.583 -0.973 0.00 0.00
ATOM 23 C 0 8.372 -1.143 -0.504 0.00 0.00
ATOM 24 O 0 9.504 -1.709 -0.996 0.00 0.00
ATOM 25 N 0 8.438 -0.194 0.395 0.00 0.00
ATOM 26 N 0 7.253 0.376 0.880 0.00 0.00
ATOM 27 C 0 7.319 1.438 1.887 0.00 0.00
ATOM 28 O 0 6.956 -2.466 -1.811 0.00 0.00
ATOM 29 C 0 1.447 -0.268 1.850 0.00 0.00
ATOM 30 S 0 -0.373 -0.214 1.982 0.00 0.00
ATOM 31 C 0 -1.054 1.858 -0.721 0.00 0.00
ATOM 32 O 0 -1.267 2.231 -1.855 0.00 0.00
ATOM 33 H 0 -2.345 -0.438 0.549 0.00 0.00
ATOM 34 O 0 -4.585 1.634 0.074 0.00 0.00
ATOM 35 N 0 -4.368 -1.854 0.295 0.00 0.00
ATOM 36 O 0 -5.160 -3.023 0.179 0.00 0.00
ATOM 37 C 0 -4.288 -4.135 0.394 0.00 0.00
ATOM 38 C 0 -7.101 -1.670 -0.446 0.00 0.00
ATOM 39 S 0 -8.732 -0.953 -0.596 0.00 0.00
ATOM 40 H 0 -8.687 2.713 0.115 0.00 0.00
ATOM 41 H 0 -10.026 1.792 -0.311 0.00 0.00
ATOM 42 H 0 2.467 0.934 -3.458 0.00 0.00
ATOM 43 H 0 3.430 -1.310 0.369 0.00 0.00
ATOM 44 H 0 3.481 -0.087 -0.923 0.00 0.00
ATOM 45 H 0 9.226 -2.376 -1.639 0.00 0.00
ATOM 46 H 0 8.361 1.645 2.130 0.00 0.00
ATOM 47 H 0 6.851 2.340 1.494 0.00 0.00
ATOM 48 H 0 6.792 1.118 2.787 0.00 0.00
ATOM 49 H 0 1.781 -1.296 1.993 0.00 0.00
ATOM 50 H 0 1.868 0.349 2.644 0.00 0.00
ATOM 51 H 0 -4.855 -5.062 0.314 0.00 0.00
ATOM 52 H 0 -3.498 -4.127 -0.357 0.00 0.00
ATOM 53 H 0 -3.846 -4.064 1.387 0.00 0.00
ATOM 54 H 0 -6.783 -2.693 -0.586 0.00 0.00
TER
</inlineContents>
</jmolApplet>
</jmol>
|-
| align="center" colspan="3" bgcolor="#ffffff" |
|-
! {{chembox header}} colspan="3" | General
|-
| colspan="1" |[http://en.wikipedia.org/wiki/IUPAC_nomenclature Systematic name]
| colspan="2"|(6''R'',7''R'',''Z'')-7-(2-(2-aminothiazol-4-yl)-2-<br />(methoxyimino)acetamido)-3-((6-hydroxy<br />-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin<br />-3-ylthio)methyl)-8-oxo-5-thia-1-aza-bicyclo<br />[4.2.0]oct-2-ene-2-carboxylic acid
|-
| colspan="1" |Synonyms
| colspan="2" |Rocephin
|-
| colspan="1" |[http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| colspan="2" |C<sub>18</sub>H<sub>18</sub>N<sub>8</sub>O<sub>7</sub>S<sub>3</sub>
|-
| colspan="1" |[http://en.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specification SMILES]
| colspan="2" |NC1=NC(/C(C(N([C@@H]([C@@H]3N2C<br />(C(O)=O)=C(CSC4=NC(C(O)=NN4C)=O)<br />CS3)C2=O)[H])=O)=N\OC)=CS1
|-
| colspan="1" |[http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| colspan="2" |554.58 g/mol
|-
| colspan="1" |Appearance
| colspan="2" |Yellow-orange crystalline powder
|-
| colspan="1" |[http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| colspan="2" |63527-52-6
|-
| colspan="1" |[http://en.wikipedia.org/wiki/ATC_code ATC Code]
| colspan="2" |J01DD01
|-
! {{chembox header}} colspan="3"| Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] and [http://en.wikipedia.org/wiki/Phase_%28matter%29 Phase]
| colspan="2" |g/cm<sup>3</sup>, solid
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility] in [http://en.wikipedia.org/wiki/Water_%28molecule%29 water]
| colspan="2" |readily-soluble
|-
| Other solvents
| colspan="2" |Methanol (sparingly)<br />Ethanol (slightly)
|-

|-
| [http://en.wikipedia.org/wiki/pH p''H''] 
| colspan="2" |6.7 (1% aqueous solution)
|-
! {{chembox header}} colspan="3"| Pharmacokinetic data
|-
| [http://en.wikipedia.org/wiki/Bioavailability Bioavailability]
| colspan="2" |n/a
|-
| [http://en.wikipedia.org/wiki/Metabolism Metabolism]
| colspan="2" |negligible
|-
| [http://en.wikipedia.org/wiki/Elimination_half-life Half life]
| colspan="2" | 5.8-8.7 hours
|-
| [http://en.wikipedia.org/wiki/Excretion Excretion]
| colspan="2" | [http://en.wikipedia.org/wiki/biliary Biliary], [http://en.wikipedia.org/wiki/renal Renal]

|-
| {{chembox header}} colspan="3"| <small>Except where noted otherwise, data are given for<br> materials in their [http://en.wikipedia.org/wiki/Standard_state standard state (at 25 °C, 100 kPa)]<br/>[http://en.wikipedia.org/wiki/Wikipedia:Chemical_infobox Infobox disclaimer and references]]</small>
|-
|}

'''Ceftriaxone''' is a cephalosporin antibiotic which has been used in the treatment of pneumonia, bacterial meningitis, Lyme's Disease and gonorrhoea.

===Routes of administration===

Ceftriaxone is injected either intravenously or intramuscularly witha usual starting dose of between 1 and 2 grams every 12-24 hours.

===Treatment of gonorrhoea===

In the treatment of gonorrhoea a single intramuscular dose of 250mg is administered, most commonly in combination with [http://en.wikipedia.org/wiki/ azithromycin], a treatment for [http://en.wikipedia.org/wiki/chlamydia chlamydia].

===Mode of action===
Ceftriaxone works by interfering with the formation of cell walls in the bacteria causing the disease. This leaves the bacteria without a cell wall and only a membrance, making it very vulnerable and weak. This causes it to break down and die in time, preventing the disease from developing any further.

It:Aspartame

2006-11-23T13:00:39Z

Ahig05: /* Synthesis */

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''Aspartame'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Aspartame.png]]
|-
| Chemical name
| ''N-(L-α-Aspartyl)-L-phenylalanine,
1-methyl ester
|-
| CAS number
| 22839-47-0
|-
| Chemical formula
| C<sub>14</sub>H<sub>18</sub>N<sub>2</sub>O<sub>5</sub>
|-
| Molecular mass
| 294.301 g/mol
|-
| Melting point
| 246-247 °C
|-
| Boiling point
| Decomposition upon heating
|-
| SMILES
| [NH3+] [C@@H](CC([O-])=O)C(N[C@@H]
(CC1=CC=CC=C1)C(OC)=O)=O
|-
|}

==Introduction==
Aspartame is an artificial sweetener made from a amino acids that is suitable for use by diabetics. It is sold under several trade names, mainly ''Equal'', or ''Nutrasweet''. Aspartame is also commonly used in soft drinks, vitamin pills and table condiments as an alternative to traditional carbohydrate based sweeteners as it is many more times sweeter than sugar for the same caloric value.

[[image:equal.png]]

==History==
Aspartame was discovered by James Schlatter of G.D Searle & Company while working on an anti-cancer drug. He has accidentally synthesised it and discovered it when he licked his finger and was surprised to find it sweet. A long fight with the FDA began as the company tried to get FDA's approval for mass consumption of this sweetener. The FDA finally approved Aspartame for use in 1981, opening up a new market for artificial sweeteners. The patent of Aspartame expired in 1991 and the market is now hotly contested between several major players, namely the NutraSweet Company and other manufacturers such as Ajinomoto, Merisant and the Holland Sweetener Company.

==Synthesis==
Aspartame is made from 2 naturally occurring amino acids, phenylalanine and aspartic acid, both of which are chiral in nature. More specifically, it is the methyl ester of phenylalanine which is used to form the dipeptide which gives Aspartame. In order for Aspartame to work is that it must be able to bind to the receptors on the tongue, and therefore the stereochemistry of the precursor molecules are important. In this case, both the precursors required are the L optical isomers.

[[Image:synthesis_aspartame.png]]

==Known Health Issues==
Aspartame is broken down by the body into Methanol and Formaldehyde, both which are thought to be toxic to the body. However it has been argued that the amounts of both substances produced are insufficient to cause substantial harm to the body.
Phenylalanine is also a product of the breakdown of Aspartame and is dangerous to people suffering form phenylketonuria,PKU. People suffering from PKU lack the enzymes to breakdown Phenylalanine, leading to accumulation which can cause mental retardation.

==References==
Merck Index, 11th Edition, 861.

http://en.wikipedia.org/wiki/Aspartame

http://www.chemcases.com/nutra/nutra2.htm

http://redpoll.pharmacy.ualberta.ca/drugbank/cgi-bin/getCard.cgi?CARD=NUTR00046.txt

http://www.elmhurst.edu/~chm/vchembook/549aspartame.html

It:Aspartame

2006-11-23T13:00:30Z

Ahig05: /* Synthesis */

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''Aspartame'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Aspartame.png]]
|-
| Chemical name
| ''N-(L-α-Aspartyl)-L-phenylalanine,
1-methyl ester
|-
| CAS number
| 22839-47-0
|-
| Chemical formula
| C<sub>14</sub>H<sub>18</sub>N<sub>2</sub>O<sub>5</sub>
|-
| Molecular mass
| 294.301 g/mol
|-
| Melting point
| 246-247 °C
|-
| Boiling point
| Decomposition upon heating
|-
| SMILES
| [NH3+] [C@@H](CC([O-])=O)C(N[C@@H]
(CC1=CC=CC=C1)C(OC)=O)=O
|-
|}

==Introduction==
Aspartame is an artificial sweetener made from a amino acids that is suitable for use by diabetics. It is sold under several trade names, mainly ''Equal'', or ''Nutrasweet''. Aspartame is also commonly used in soft drinks, vitamin pills and table condiments as an alternative to traditional carbohydrate based sweeteners as it is many more times sweeter than sugar for the same caloric value.

[[image:equal.png]]

==History==
Aspartame was discovered by James Schlatter of G.D Searle & Company while working on an anti-cancer drug. He has accidentally synthesised it and discovered it when he licked his finger and was surprised to find it sweet. A long fight with the FDA began as the company tried to get FDA's approval for mass consumption of this sweetener. The FDA finally approved Aspartame for use in 1981, opening up a new market for artificial sweeteners. The patent of Aspartame expired in 1991 and the market is now hotly contested between several major players, namely the NutraSweet Company and other manufacturers such as Ajinomoto, Merisant and the Holland Sweetener Company.

==Synthesis==
Aspartame is made from 2 naturally occurring amino acids, phenylalanine and aspartic acid, both of which are chiral in nature. More specifically, it is the methyl ester of phenylalanine which is used to form the dipeptide which gives Aspartame. In order for Aspartame to work is that it must be able to bind to the receptors on the tongue, and therefore the stereochemistry of the precursor molecules are important. In this case, both the precursors required are the L optical isomers.
[[Image:synthesis_aspartame.png]]

==Known Health Issues==
Aspartame is broken down by the body into Methanol and Formaldehyde, both which are thought to be toxic to the body. However it has been argued that the amounts of both substances produced are insufficient to cause substantial harm to the body.
Phenylalanine is also a product of the breakdown of Aspartame and is dangerous to people suffering form phenylketonuria,PKU. People suffering from PKU lack the enzymes to breakdown Phenylalanine, leading to accumulation which can cause mental retardation.

==References==
Merck Index, 11th Edition, 861.

http://en.wikipedia.org/wiki/Aspartame

http://www.chemcases.com/nutra/nutra2.htm

http://redpoll.pharmacy.ualberta.ca/drugbank/cgi-bin/getCard.cgi?CARD=NUTR00046.txt

http://www.elmhurst.edu/~chm/vchembook/549aspartame.html

It:Aspartame

2006-11-23T12:56:01Z

Ahig05: added picture

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''Aspartame'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Aspartame.png]]
|-
| Chemical name
| ''N-(L-α-Aspartyl)-L-phenylalanine,
1-methyl ester
|-
| CAS number
| 22839-47-0
|-
| Chemical formula
| C<sub>14</sub>H<sub>18</sub>N<sub>2</sub>O<sub>5</sub>
|-
| Molecular mass
| 294.301 g/mol
|-
| Melting point
| 246-247 °C
|-
| Boiling point
| Decomposition upon heating
|-
| SMILES
| [NH3+] [C@@H](CC([O-])=O)C(N[C@@H]
(CC1=CC=CC=C1)C(OC)=O)=O
|-
|}

==Introduction==
Aspartame is an artificial sweetener made from a amino acids that is suitable for use by diabetics. It is sold under several trade names, mainly ''Equal'', or ''Nutrasweet''. Aspartame is also commonly used in soft drinks, vitamin pills and table condiments as an alternative to traditional carbohydrate based sweeteners as it is many more times sweeter than sugar for the same caloric value.

[[image:equal.png]]

==History==
Aspartame was discovered by James Schlatter of G.D Searle & Company while working on an anti-cancer drug. He has accidentally synthesised it and discovered it when he licked his finger and was surprised to find it sweet. A long fight with the FDA began as the company tried to get FDA's approval for mass consumption of this sweetener. The FDA finally approved Aspartame for use in 1981, opening up a new market for artificial sweeteners. The patent of Aspartame expired in 1991 and the market is now hotly contested between several major players, namely the NutraSweet Company and other manufacturers such as Ajinomoto, Merisant and the Holland Sweetener Company.

==Synthesis==
Aspartame is made from 2 naturally occurring amino acids, phenylalanine and aspartic acid, both of which are chiral in nature. More specifically, it is the methyl ester of phenylalanine which is used to form the dipeptide which gives Aspartame. In order for Aspartame to work is that it must be able to bind to the receptors on the tongue, and therefore the stereochemistry of the precursor molecules are important. In this case, both the precursors required are the L optical isomers.[[Image:synthesis_aspartame.png]]

==Known Health Issues==
Aspartame is broken down by the body into Methanol and Formaldehyde, both which are thought to be toxic to the body. However it has been argued that the amounts of both substances produced are insufficient to cause substantial harm to the body.
Phenylalanine is also a product of the breakdown of Aspartame and is dangerous to people suffering form phenylketonuria,PKU. People suffering from PKU lack the enzymes to breakdown Phenylalanine, leading to accumulation which can cause mental retardation.

==References==
Merck Index, 11th Edition, 861.

http://en.wikipedia.org/wiki/Aspartame

http://www.chemcases.com/nutra/nutra2.htm

http://redpoll.pharmacy.ualberta.ca/drugbank/cgi-bin/getCard.cgi?CARD=NUTR00046.txt

http://www.elmhurst.edu/~chm/vchembook/549aspartame.html

File:Equal.png

2006-11-23T12:55:13Z

Ahig05: equal

equal

It:Aspartame

2006-11-23T12:45:26Z

Ahig05: added history

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}}| '''Aspartame'''
|-
| align="center" colspan="2" bgcolor="#ffffff" | [[Image:Aspartame.png]]
|-
| Chemical name
| ''N-(L-α-Aspartyl)-L-phenylalanine,
1-methyl ester
|-
| CAS number
| 22839-47-0
|-
| Chemical formula
| C<sub>14</sub>H<sub>18</sub>N<sub>2</sub>O<sub>5</sub>
|-
| Molecular mass
| 294.301 g/mol
|-
| Melting point
| 246-247 °C
|-
| Boiling point
| Decomposition upon heating
|-
| SMILES
| [NH3+] [C@@H](CC([O-])=O)C(N[C@@H]
(CC1=CC=CC=C1)C(OC)=O)=O
|-
|}

==Introduction==
Aspartame is an artificial sweetener made from a amino acids that is suitable for use by diabetics. It is sold under several trade names, mainly ''Equal'', or ''Nutrasweet''. Aspartame is also commonly used in soft drinks, vitamin pills and table condiments as an alternative to traditional carbohydrate based sweeteners as it is many more times sweeter than sugar for the same caloric value.

==History==
Aspartame was discovered by James Schlatter of G.D Searle & Company while working on an anti-cancer drug. He has accidentally synthesised it and discovered it when he licked his finger and was surprised to find it sweet. A long fight with the FDA began as the company tried to get FDA's approval for mass consumption of this sweetener. The FDA finally approved Aspartame for use in 1981, opening up a new market for artificial sweeteners. The patent of Aspartame expired in 1991 and the market is now hotly contested between several major players, namely the NutraSweet Company and other manufacturers such as Ajinomoto, Merisant and the Holland Sweetener Company.

==Synthesis==
Aspartame is made from 2 naturally occurring amino acids, phenylalanine and aspartic acid, both of which are chiral in nature. More specifically, it is the methyl ester of phenylalanine which is used to form the dipeptide which gives Aspartame. In order for Aspartame to work is that it must be able to bind to the receptors on the tongue, and therefore the stereochemistry of the precursor molecules are important. In this case, both the precursors required are the L optical isomers.[[Image:synthesis_aspartame.png]]

==Known Health Issues==
Aspartame is broken down by the body into Methanol and Formaldehyde, both which are thought to be toxic to the body. However it has been argued that the amounts of both substances produced are insufficient to cause substantial harm to the body.
Phenylalanine is also a product of the breakdown of Aspartame and is dangerous to people suffering form phenylketonuria,PKU. People suffering from PKU lack the enzymes to breakdown Phenylalanine, leading to accumulation which can cause mental retardation.

==References==
Merck Index, 11th Edition, 861.

http://en.wikipedia.org/wiki/Aspartame

http://www.chemcases.com/nutra/nutra2.htm

http://redpoll.pharmacy.ualberta.ca/drugbank/cgi-bin/getCard.cgi?CARD=NUTR00046.txt

http://www.elmhurst.edu/~chm/vchembook/549aspartame.html