KEGG   COMPOUND: C07086
Entry
C07086                      Compound                               
Name
Phenylacetic acid;
Benzylformic acid;
Phenylacetate;
Benzeneacetic acid
Formula
C8H8O2
Exact mass
136.0524
Mol weight
136.1479
Structure
Reaction
Pathway
map00360  Phenylalanine metabolism
map00643  Styrene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Module
M00878  Phenylacetate degradation, phenylaxetate => acetyl-CoA/succinyl-CoA
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         4.1.1.119       
6.2.1.30
Brite
Prodrugs [br08324.html]
 C07086
Narcotics and psychotropics in Japan [br08308.html]
 Stimulants by Control Act Article 2 Appended Table and Cabinet Order
  C07086
Other DBs
CAS: 103-82-2
PubChem: 9297
ChEBI: 30745
KNApSAcK: C00000750
PDB-CCD: PAC[PDBj]
3DMET: B02106
NIKKAJI: J10.117F
KCF data

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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