KEGG   COMPOUND: C00084Help
Entry
C00084                      Compound                               

Name
Acetaldehyde;
Ethanal
Formula
C2H4O
Exact mass
44.0262
Mol weight
44.0526
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00010  Glycolysis / Gluconeogenesis
map00360  Phenylalanine metabolism
map00362  Benzoate degradation
map00440  Phosphonate and phosphinate metabolism
map00564  Glycerophospholipid metabolism
map00620  Pyruvate metabolism
map00621  Dioxin degradation
map00622  Xylene degradation
map00625  Chloroalkane and chloroalkene degradation
map00920  Sulfur metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01130  Biosynthesis of antibiotics
map01220  Degradation of aromatic compounds
Module
M00545  Trans-cinnamate degradation, trans-cinnamate => acetyl-CoA
M00569  Catechol meta-cleavage, catechol => acetyl-CoA / 4-methylcatechol => propanoyl-CoA
Enzyme
1.1.1.1         1.1.1.2         1.1.1.71        1.1.2.7         
1.1.2.8         1.1.5.5         1.1.99.36       1.2.1.3         
1.2.1.4         1.2.1.5         1.2.1.10        1.2.1.-         
1.2.5.2         1.2.99.6        1.7.3.1         1.13.12.16      
1.13.12.-       1.14.15.-       1.14.99.39      2.1.1.-         
2.2.1.4         2.2.1.8         2.3.1.190       3.7.1.12        
3.11.1.1        4.1.1.1         4.1.1.-         4.1.2.4         
4.1.2.5         4.1.2.33        4.1.2.36        4.1.2.42        
4.1.2.48        4.1.2.49        4.1.2.50        4.1.3.39        
4.2.1.112       4.2.1.155       4.2.3.2         4.3.1.7         
4.3.3.-         4.3.99.4
 » show all
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C00084  Acetaldehyde
BRITE hierarchy
Other DBs
CAS: 75-07-0
PubChem: 3384
ChEBI: 15343
ChEMBL: CHEMBL170365
KNApSAcK: C00007392
PDB-CCD: ACE[PDBj]
3DMET: B01155
NIKKAJI: J2.388D
KCF data Show

ATOM        3
            1   C1a C    26.8109  -20.5807
            2   C4a C    28.0234  -19.8807
            3   O4a O    29.2179  -20.5705
BOND        2
            1     1   2 1
            2     2   3 2

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