KEGG   COMPOUND: C07215Help
Entry
C07215                      Compound                               

Name
o-Toluate;
o-Methylbenzoate;
o-Toluic Acid;
2-Methylbenzoic 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: 118-90-1
PubChem: 9424
ChEBI: 28872 36632
ChEMBL: CHEMBL114957
PDB-CCD: 3SK[PDBj]
3DMET: B01082
NIKKAJI: J10.074I
LinkDB All DBs
KCF data Show

ATOM        10
            1   C8y C    28.2500  -16.5891
            2   C8y C    29.4557  -17.2914
            3   C8x C    27.0328  -17.2914
            4   C6a C    28.2500  -15.1903
            5   C8x C    29.4557  -18.6900
            6   C1a C    30.6729  -16.5891
            7   C8x C    27.0328  -18.6900
            8   O6a O    27.0386  -14.4882
            9   O6a O    29.4615  -14.4940
            10  C8x C    28.2500  -19.3923
BOND        10
            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     4   8 1
            8     4   9 2
            9     5  10 2
            10    7  10 1

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