RefMet Compound Details

MW structure41966 (View MW Metabolite Database details)
RefMet namePhenylethylamine
Systematic name2-phenylethan-1-amine
SMILESNCCc1ccccc1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass121.089149 (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
FormulaC8H11NView other entries in RefMet with this formula
InChIKeyBHHGXPLMPWCGHP-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassTyrosine alkaloids
Sub ClassPhenylethylamines
Pubchem CID1001
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Phenylethylamine

Rxn IDKEGG ReactionEnzyme
R00699 L-Phenylalanine <=> Phenethylamine + CO2L-phenylalanine carboxy-lyase (phenylethylamine-forming)
R02613 Phenethylamine + Oxygen + H2O <=> Phenylacetaldehyde + Ammonia + Hydrogen peroxidePhenethylamine:oxygen oxidoreductase (deaminating)
R02612 Phenethylamine + H2O + Acceptor <=> Phenylacetaldehyde + Ammonia + Reduced acceptorPhenethylamine:(acceptor) oxidoreductase (deaminating)

Table of KEGG human pathways containing Phenylethylamine

Pathway IDHuman Pathway# of reactions
hsa00360 Phenylalanine metabolism 2
hsa01100 Metabolic pathways 1