RefMet Compound Details

MW structure37136 (View MW Metabolite Database details)
RefMet namePhenylacetic acid
Systematic name2-phenylacetic acid
Canonical SMILESOC(=O)Cc1ccccc1
Exact mass136.0524View other entries in RefMet with this exact mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC8H8O2View other entries in RefMet with this formula
InChIInChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKeyWLJVXDMOQOGPHL-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassPhenylacetic acids
Sub ClassPhenylacetic acids
Pubchem CID999

Table of KEGG reactions in human pathways involving Phenylacetic acid

Rxn IDKEGG ReactionEnzyme
R02537 Phenylacetaldehyde + NADP+ + H2O <=> Phenylacetic acid + NADPH + H+Aldehyde:NADP+ oxidoreductase
R02536 Phenylacetaldehyde + NAD+ + H2O <=> Phenylacetic acid + NADH + H+Phenylacetaldehyde:NAD+ oxidoreductase
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