Metabolomics Structure Database

MW REGNO: 37108
Common Name:L-Phenylalanine
Systematic Name:(2S)-2-amino-3-phenylpropanoic acid
RefMet Name:Phenylalanine
Synonyms: [PubChem Synonyms]
Exact Mass:
165.0790 (neutral)    Calculate m/z:
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:Phenylalanine and derivatives [C0004321]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:N[C@@H](Cc1ccccc1)C(O)=O |&1:1|
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:6140
CHEBI ID:17295
KEGG ID:C00079
Chemspider ID:5910
BMRB ID:bmse001016
MetaCyc ID:PHE
NP-MRD ID(NMR):NP0000288
EPA CompTox DB:DTXCID103463


LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y