Metabolomics Structure Database

 
MW REGNO: 37108
Common Name:L-Phenylalanine
Systematic Name:(2S)-2-amino-3-phenylpropanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
165.0790 (neutral)    Calculate m/z:
Formula:C9H11NO2
InChIKey:COLNVLDHVKWLRT-QMMMGPOBSA-N
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 spectra
Studies:Available studies

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External database links:

PubChem CID:6140
CHEBI ID:17295
HMDB ID:HMDB0000159
KEGG ID:C00079
Chemspider ID:5910
METLIN ID:28
BMRB ID:bmse001016
MetaCyc ID:PHE
EPA CompTox DB:DTXCID103463

References

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

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