RefMet Compound Details

MW structure37136 (View MW Metabolite Database details)
RefMet namePhenylacetic acid
Systematic name2-phenylacetic acid
SMILESc1ccc(cc1)CC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass136.052430 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) 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 ClassOrganic acids
Main ClassPhenylpropanoids
Sub ClassCinnamic acids
Pubchem CID999
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Phenylacetic acid

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

Table of KEGG human pathways containing Phenylacetic acid

Pathway IDHuman Pathway# of reactions
hsa00360 Phenylalanine metabolism 2
hsa01100 Metabolic pathways 2
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