KEGG   COMPOUND: C00248Help
Entry
C00248                      Compound                               

Name
Lipoamide;
Thioctic acid amide
Formula
C8H15NOS2
Exact mass
205.0595
Mol weight
205.3408
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Enzyme
Brite
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
      D00048  Thioctic acid amide (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Thioctic acid amide
    D00048  Thioctic acid amide (JAN)
BRITE hierarchy
Other DBs
CAS: 
940-69-2
PubChem: 
ChEBI: 
LIPIDMAPS: 
NIKKAJI: 
KCF data Show

ATOM        12
            1   S3x S    28.7000  -15.7500
            2   S3x S    27.3000  -15.7500
            3   C1x C    26.8800  -17.0800
            4   C1x C    28.0000  -17.9200
            5   C1y C    29.1200  -17.0800
            6   C1b C    30.3100  -17.7800
            7   C1b C    31.5700  -17.0800
            8   C1b C    32.7600  -17.7800
            9   C1b C    33.9500  -17.0800
            10  C5a C    35.2100  -17.7800
            11  N1a N    36.4000  -17.0800
            12  O5a O    35.2100  -19.1800
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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