KEGG   COMPOUND: C06730Help
Entry
C06730                      Compound                               

Name
4-Methylcatechol;
3,4-Dihydroxytoluene;
1,2-Dihydroxy-4-methylbenzene;
4-Methyl-1,2-benzenediol
Formula
C7H8O2
Exact mass
124.0524
Mol weight
124.1372
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00622  Xylene degradation
map00623  Toluene degradation
map00626  Naphthalene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00551  Benzoate degradation, benzoate => catechol / methylbenzoate => methylcatechol
M00569  Catechol meta-cleavage, catechol => acetyl-CoA / 4-methylcatechol => propanoyl-CoA
Enzyme
1.3.1.67        1.13.11.1       1.13.11.2       1.14.12.14      
1.14.13.1       1.14.13.7
Other DBs
CAS: 452-86-8
PubChem: 8952
ChEBI: 17254
ChEMBL: CHEMBL158766
KNApSAcK: C00002660
PDB-CCD: MCT[PDBj]
3DMET: B01036
NIKKAJI: J5.755J
KCF data Show

ATOM        9
            1   C8y C    30.0566  -16.2438
            2   C8y C    30.0043  -17.6431
            3   C8x C    28.8331  -15.5590
            4   O1a O    31.2568  -15.5238
            5   C8x C    28.8682  -18.3572
            6   O1a O    31.2978  -18.3280
            7   C8y C    27.6330  -16.2790
            8   C8x C    27.6506  -17.6781
            9   C1a C    26.4094  -15.5941
BOND        9
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     5   8 2
            8     7   9 1
            9     7   8 1

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