Metabolomics Structure Database

 
MW REGNO: 122971
Common Name:Homophenylalanine
Systematic Name:(2S)-2-amino-4-phenylbutanoic acid
RefMet Name:Homophenylalanine
Synonyms: [PubChem Synonyms]
Exact Mass:
179.0946 (neutral)    Calculate m/z:
Formula:C10H13NO2
InChIKey:JTTHKOPSMAVJFE-VIFPVBQESA-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:Amino acids and derivatives [C0000347]
SMILES:c1ccc(cc1)CC[C@@H](C(=O)O)N
Studies:Available studies (via RefMet name)

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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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