KEGG   COMPOUND: C01454Help
Entry
C01454                      Compound                               

Name
Toluate;
p-Toluate;
p-Toluic acid;
4-Methylbenzoic acid;
Toluenecarboxylic acid;
Crithminic acid
Formula
C8H8O2
Exact mass
136.0524
Mol weight
136.1479
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00622  Xylene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00537  Xylene degradation, xylene => methylbenzoate
M00551  Benzoate degradation, benzoate => catechol / methylbenzoate => methylcatechol
Enzyme
1.2.1.7         1.2.1.28        1.14.12.-
Other DBs
CAS: 99-94-5
PubChem: 4631
ChEBI: 28856 36635
ChEMBL: CHEMBL21708
PDB-CCD: 4MA[PDBj]
3DMET: B00292
NIKKAJI: J5.162D
KCF data Show

ATOM        10
            1   C8y C    28.2343  -16.9405
            2   C6a C    27.0170  -16.2533
            3   C8x C    28.2401  -18.3441
            4   C8x C    29.4340  -16.2416
            5   O6a O    25.8055  -16.9579
            6   O6a O    27.0111  -14.8497
            7   C8x C    29.4516  -19.0431
            8   C8x C    30.6513  -16.9289
            9   C8y C    30.6630  -18.3267
            10  C1a C    31.8862  -19.0140
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     7   9 1
            9     9  10 1
            10    8   9 2

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