KEGG   COMPOUND: C00033
Entry
C00033                      Compound                               
Name
Acetate;
Acetic acid;
Ethanoic acid
Formula
C2H4O2
Exact mass
60.0211
Mol weight
60.052
Structure
Remark
Same as: D00010
Reaction
Pathway
map00010  Glycolysis / Gluconeogenesis
map00430  Taurine and hypotaurine metabolism
map00440  Phosphonate and phosphinate metabolism
map00534  Glycosaminoglycan biosynthesis - heparan sulfate / heparin
map00620  Pyruvate metabolism
map00630  Glyoxylate and dicarboxylate metabolism
map00660  C5-Branched dibasic acid metabolism
map00680  Methane metabolism
map00720  Carbon fixation pathways in prokaryotes
map00908  Zeatin biosynthesis
map00920  Sulfur metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01200  Carbon metabolism
map01220  Degradation of aromatic compounds
map04725  Cholinergic synapse
map04936  Alcoholic liver disease
map04973  Carbohydrate digestion and absorption
map04974  Protein digestion and absorption
Module
M00357  Methanogenesis, acetate => methane
M00579  Phosphate acetyltransferase-acetate kinase pathway, acetyl-CoA => acetate
Enzyme
1.1.1.318       1.1.1.319       1.2.1.3         1.2.1.4         
1.2.1.5         1.2.1.-         1.2.5.1         1.2.5.2         
1.2.99.6        1.13.11.50      1.13.12.4       1.14.13.54      
1.14.14.32      2.1.1.152       2.3.1.187       2.5.1.47        
2.5.1.48        2.5.1.49        2.5.1.50        2.5.1.51        
2.5.1.52        2.5.1.53        2.5.1.65        2.5.1.118       
2.5.1.119       2.5.1.134       2.5.1.144       2.6.99.3        
2.7.2.1         2.7.2.12        2.7.2.15        2.8.3.1         
2.8.3.3         2.8.3.8         2.8.3.10        2.8.3.11        
2.8.3.12        2.8.3.14        2.8.3.18        2.8.3.19        
2.8.3.-         3.1.1.2         3.1.1.6         3.1.1.7         
3.1.1.8         3.1.1.33        3.1.1.41        3.1.1.47        
3.1.1.53        3.1.1.54        3.1.1.55        3.1.1.56        
3.1.1.58        3.1.1.66        3.1.1.71        3.1.1.80        
3.1.1.94        3.1.1.105       3.1.1.106       3.1.1.112       
3.1.1.113       3.1.1.114       3.1.2.1         3.1.2.16        
3.5.1.4         3.5.1.14        3.5.1.15        3.5.1.16        
3.5.1.17        3.5.1.21        3.5.1.25        3.5.1.29        
3.5.1.33        3.5.1.41        3.5.1.47        3.5.1.48        
3.5.1.51        3.5.1.62        3.5.1.63        3.5.1.66        
3.5.1.76        3.5.1.85        3.5.1.89        3.5.1.103       
3.5.1.104       3.5.1.105       3.5.1.108       3.5.1.112       
3.5.1.113       3.5.1.114       3.5.1.125       3.5.1.135       
3.5.1.136       3.5.1.-         3.6.1.7         3.6.1.20        
3.7.1.1         3.7.1.6         3.7.1.24        3.7.1.25        
3.11.1.2        4.1.1.88        4.1.3.4         4.1.3.6         
4.1.3.22        4.1.3.26        4.2.99.24       6.2.1.1         
6.2.1.13        6.2.1.22        6.2.1.35
 » show all
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   Monocarboxylic acids
    C00033  Acetate; Ethanoate
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0101 Straight chain fatty acids
    C00033  Acetic acid
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AD Organic acids
     G01AD02 Acetic acid
      D00010  Acetic acid, glacial (USP) <JP/US>
 S SENSORY ORGANS
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA10 Acetic acid
      D00010  Acetic acid, glacial (USP) <JP/US>
USP drug classification [BR:br08302]
 Antibacterials
  Antibacterials, Other
   Acetic Acid
    D00010  Acetic acid, glacial (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   264  Analgesics, anti-itchings, astringents, anti-inflammatory agents
    2649  Others
     D00010  Acetic acid, glacial (USP); Acetic acid (JP18/NF); Glacial acetic acid (JP18)
   266  Emollients
    2661  Organic acids
     D00010  Acetic acid, glacial (USP); Acetic acid (JP18/NF); Glacial acetic acid (JP18)
 7  Agents not mainly for therapeutic purpose
  71  Dispensing medicines
   714  Flavorings, deodorants, coloring agents
    7149  Others
     D00010  Acetic acid, glacial (USP); Acetic acid (JP18/NF); Glacial acetic acid (JP18)
   719  Miscellaneous
    7190  Miscellaneous
     D00010  Acetic acid, glacial (USP); Acetic acid (JP18/NF); Glacial acetic acid (JP18)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Acetic acid
    D00010  Acetic acid, glacial (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00010  Acetic acid
  D00010  Glacial acetic acid
Other DBs
CAS: 64-19-7
PubChem: 3335
ChEBI: 15366 30089
LIPIDMAPS: LMFA01010002
LipidBank: DFA0002
KNApSAcK: C00001176
PDB-CCD: ACT[PDBj] ACY[PDBj]
3DMET: B00009
NIKKAJI: J2.355H
LinkDB
KCF data

ATOM        4
            1   C6a C    24.5700  -15.7500
            2   C1a C    25.7840  -16.4527
            3   O6a O    23.3619  -16.4527
            4   O6a O    24.5700  -14.3503
BOND        3
            1     1   2 1
            2     1   3 1
            3     1   4 2

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