RefMet Compound Details

MW structure41966 (View MW Metabolite Database details)
RefMet namePhenylethylamine
Systematic name2-phenylethan-1-amine
SMILESNCCc1ccccc1
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
InChIInChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKeyBHHGXPLMPWCGHP-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassPhenethylamines
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)
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 1
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