RefMet Compound Details

MW structure37108 (View MW Metabolite Database details)
RefMet namePhenylalanine
Systematic name(2S)-2-amino-3-phenylpropanoic acid
SMILESN[C@@H](Cc1ccccc1)C(O)=O
Exact mass165.078979 (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
FormulaC9H11NO2View other entries in RefMet with this formula
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCOLNVLDHVKWLRT-QMMMGPOBSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID6140
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples

Table of KEGG reactions in human pathways involving Phenylalanine

Rxn IDKEGG ReactionEnzyme
R00699 L-Phenylalanine <=> Phenethylamine + CO2L-phenylalanine carboxy-lyase (phenylethylamine-forming)
R01795 Tetrahydrobiopterin + L-Phenylalanine + Oxygen <=> Dihydrobiopterin + L-Tyrosine + H2OL-Phenylalanine,tetrahydrobiopterin:oxygen oxidoreductase (4-hydroxylating)
R00688 L-Phenylalanine + H2O + NAD+ <=> Phenylpyruvate + Ammonia + NADH + H+L-phenylalanine:NAD+ oxidoreductase (deaminating)
R00694 L-Phenylalanine + 2-Oxoglutarate <=> Phenylpyruvate + L-GlutamateL-Phenylalanine:2-oxoglutarate aminotransferase
R00689 L-Phenylalanine + H2O + Oxygen <=> Phenylpyruvate + Ammonia + Hydrogen peroxideL-Phenylalanine:oxygen oxidoreductase (deaminating)
R00692 L-Phenylalanine + Pyruvate <=> Phenylpyruvate + L-AlanineL-phenylalanine:pyruvate aminotransferase

Table of KEGG human pathways containing Phenylalanine

Pathway IDHuman Pathway# of reactions
hsa00360 Phenylalanine metabolism 4
hsa00400 Phenylalanine, tyrosine and tryptophan biosynthesis 3
hsa01230 Biosynthesis of amino acids 1
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