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 searchJmolKegDraw
Reaction
Pathway
Xylene degradation
Metabolic pathways
Microbial metabolism in diverse environments
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: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
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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