KEGG   COMPOUND: C07086Help
Entry
C07086                      Compound                               

Name
Phenylacetic acid;
Benzylformic acid;
Phenylacetate;
Benzeneacetic acid
Formula
C8H8O2
Exact mass
136.0524
Mol weight
136.1479
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00360  Phenylalanine metabolism
map00643  Styrene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.2.1.5         1.2.1.39        1.14.14.54      3.1.2.-         
3.5.1.4         3.5.1.11        3.5.5.1         6.2.1.30
Other DBs
CAS: 103-82-2
PubChem: 9297
ChEBI: 30745
ChEMBL: CHEMBL1044
KNApSAcK: C00000750
PDB-CCD: PAC[PDBj]
3DMET: B02106
NIKKAJI: J10.117F
KCF data Show

ATOM        10
            1   C8y C    28.2165  -17.2900
            2   C8x C    26.9988  -17.9891
            3   C8x C    29.4282  -17.9891
            4   C1b C    28.2165  -15.8917
            5   C8x C    26.9988  -19.3874
            6   C8x C    29.4282  -19.3874
            7   C6a C    29.4341  -15.1869
            8   C8x C    28.2165  -20.0923
            9   O6a O    29.4341  -13.7944
            10  O6a O    30.6401  -15.8860
BOND        10
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     7   9 2
            9     7  10 1
            10    6   8 1

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