KEGG   COMPOUND: C00725Help
Entry
C00725                      Compound                               

Name
Lipoate;
Lipoic acid;
Thioctic acid;
dl-alpha-Lipoic acid;
DL-Thioctic acid
Formula
C8H14O2S2
Exact mass
206.0435
Mol weight
206.3256
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
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)
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)
Animal drugs in Japan [BR:br08331]
 96  Agents affecting metabolism
  967  Agents for liver disease and antidotes
   9679  Other agents for liver disease and antidotes
    C00725  Thioctic acid
BRITE hierarchy
Other DBs
CAS: 
62-46-4
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

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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