KEGG   COMPOUND: C00090
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
Reaction
R00058 R00080 R00812 R00813 R00814 R00815 R00816 R00817
R00818 R00821 R00822 R00823 R00825 R00827 R00828 R01033
R05361 R07700 R07706 R07803 R08106 R08122 R10043 R11653
R12301
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      1.14.13.244     1.14.14.20      
1.14.14.-       1.14.18.1       1.14.-.-        2.1.1.6         
3.7.1.-         4.1.1.46        4.1.1.63
Other DBs
CAS: 120-80-9
PubChem: 3390
ChEBI: 18135
KNApSAcK: C00002644
PDB-CCD: CAQ[PDBj]
3DMET: B00023
NIKKAJI: J2.921A
LinkDB
KCF data

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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