RefMet Compound Details

MW structure38835 (View MW Metabolite Database details)
RefMet namePhenylacetaldehyde
Systematic name2-phenylacetaldehyde
SMILESc1ccc(cc1)CC=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass120.057515 (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
FormulaC8H8OView other entries in RefMet with this formula
InChIKeyDTUQWGWMVIHBKE-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassPhenylpropanoids
Sub ClassCinnamic acids
Pubchem CID998
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Phenylacetaldehyde

Rxn IDKEGG ReactionEnzyme
R02537 Phenylacetaldehyde + NADP+ + H2O <=> Phenylacetic acid + NADPH + H+Aldehyde:NADP+ oxidoreductase
R02613 Phenethylamine + Oxygen + H2O <=> Phenylacetaldehyde + Ammonia + Hydrogen peroxidePhenethylamine:oxygen oxidoreductase (deaminating)
R02536 Phenylacetaldehyde + NAD+ + H2O <=> Phenylacetic acid + NADH + H+Phenylacetaldehyde:NAD+ oxidoreductase
R02612 Phenethylamine + H2O + Acceptor <=> Phenylacetaldehyde + Ammonia + Reduced acceptorPhenethylamine:(acceptor) oxidoreductase (deaminating)

Table of KEGG human pathways containing Phenylacetaldehyde

Pathway IDHuman Pathway# of reactions
hsa00360 Phenylalanine metabolism 3
hsa01100 Metabolic pathways 3