KEGG   COMPOUND: C00090Help
Entry
C00090                      Compound                               

Name
Catechol;
1,2-Benzenediol;
o-Benzenediol;
1,2-Dihydroxybenzene;
Brenzcatechin;
Pyrocatechol
Formula
C6H6O2
Exact mass
110.0368
Mol weight
110.1106
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map00362  Benzoate degradation
map00364  Fluorobenzoate degradation
map00621  Dioxin degradation
map00624  Polycyclic aromatic hydrocarbon degradation
map00626  Naphthalene degradation
map00627  Aminobenzoate degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00547  Benzene/toluene degradation, benzene => catechol / toluene => 3-methylcatechol
M00548  Benzene degradation, benzene => catechol
M00551  Benzoate degradation, benzoate => catechol / methylbenzoate => methylcatechol
M00568  Catechol ortho-cleavage, catechol => 3-oxoadipate
M00569  Catechol meta-cleavage, catechol => acetyl-CoA / 4-methylcatechol => propanoyl-CoA
M00637  Anthranilate degradation, anthranilate => catechol
Enzyme
1.1.3.14        1.3.1.19        1.3.1.20        1.3.1.25        
1.3.1.-         1.10.3.1        1.13.11.1       1.13.11.2       
1.14.12.1       1.14.12.13      1.14.12.23      1.14.13.1       
1.14.13.7       1.14.13.31      1.14.13.-       1.14.14.20      
1.14.18.1       1.14.-.-        2.1.1.6         3.7.1.-         
4.1.1.46        4.1.1.63
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C00090  Catechol
BRITE hierarchy
Other DBs
CAS: 120-80-9
PubChem: 3390
ChEBI: 18135
ChEMBL: CHEMBL280998
KNApSAcK: C00002644
PDB-CCD: CAQ[PDBj]
3DMET: B00023
NIKKAJI: J2.921A
LinkDB All DBs
KCF data Show

ATOM        8
            1   C8y C    26.2540  -15.7809
            2   C8y C    25.0332  -15.0844
            3   C8x C    26.2540  -17.1873
            4   O1a O    27.4557  -15.0779
            5   C8x C    23.8316  -15.7809
            6   O1a O    25.0332  -13.6910
            7   C8x C    25.0332  -17.8966
            8   C8x C    23.8316  -17.1873
BOND        8
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     5   8 1
            8     7   8 2

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