| Entry |
|
|---|
| Name |
Lipoate;
Lipoic acid;
Thioctic acid;
dl-alpha-Lipoic acid;
DL-Thioctic acid
|
|---|
| Formula |
C8H14O2S2
|
|---|
| Exact mass |
206.0435
|
|---|
| Mol weight |
206.33
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Comment |
racemic mixture
|
|---|
| Brite |
Compounds with biological roles [BR:br08001]
Vitamins and cofactors
Cofactors
Coenzymes
C00725 Lipoate
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A16 OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A16A OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A16AX Various alimentary tract and metabolism products
A16AX01 Thioctic acid
D00086 Thioctic acid (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
3 Agents affecting metabolism
39 Other agents affecting metabolism
399 Miscellaneous
3999 Others
D00086 Thioctic acid (JAN)
Classification of Japanese OTC drugs [BR:br08313]
Nourishing tonics and health supplements
43 Vitamin containing supplements
D00086 Thioctic acid (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Thioctic acid
D00086 Thioctic acid (JAN)
|
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| Other DBs |
|
|---|
| KCF data |
ATOM 12
1 S3x S 31.8606 -11.4177
2 S3x S 30.4596 -11.4177
3 C1x C 30.0268 -12.7501
4 C1x C 31.1601 -13.5736
5 C1y C 32.2935 -12.7501
6 C1b C 33.4942 -13.4491
7 C1b C 34.7075 -12.7486
8 C1b C 35.9207 -13.4491
9 C1b C 37.1339 -12.7486
10 C6a C 38.3473 -13.4491
11 O6a O 39.5605 -12.7486
12 O6a O 38.3473 -14.8501
BOND 12
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 5 6 1
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 10 12 2
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|---|
