KEGG   COMPOUND: C02137
Entry
C02137                      Compound                               
Name
alpha-Oxo-benzeneacetic acid;
Benzoylformate;
Benzoylformic acid;
Phenylglyoxylic acid;
Phenylglyoxylate;
2-Oxo-2-phenylacetate
Formula
C8H6O3
Exact mass
150.0317
Mol weight
150.1314
Structure
Reaction
Pathway
map00360  Phenylalanine metabolism
map00627  Aminobenzoate degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.1.1.379       1.1.1.-         1.1.99.31       1.2.1.58        
3.1.2.25        4.1.1.7
Other DBs
CAS: 611-73-4
PubChem: 5216
ChEBI: 18280
PDB-CCD: 173[PDBj]
3DMET: B00392
NIKKAJI: J2.992K
KCF data

ATOM        11
            1   C8y C    17.8032  -15.0958
            2   C5a C    17.7969  -13.6992
            3   C8x C    16.5924  -15.7942
            4   C8x C    19.0205  -15.7942
            5   C6a C    19.0014  -13.0008
            6   O5a O    16.5861  -13.0073
            7   C8x C    16.5924  -17.2036
            8   C8x C    19.0205  -17.2036
            9   O6a O    20.2057  -13.6992
            10  O6a O    18.9949  -11.6105
            11  C8x C    17.8032  -17.9147
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    7  11 2
            11    8  11 1

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