Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	156672
Common Name:	N-Formylphenylalanine
Systematic Name:	(2S)-2-formamido-3-phenyl-propanoic acid
RefMet Name:	N-Formylphenylalanine
Synonyms:	N-Formyl-L-phenylalanine [PubChem Synonyms]
Exact Mass:	193.0739 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C10H11NO3
InChIKey:	NSTPXGARCQOSAU-VIFPVBQESA-N
ClassyFire superclass:	Organic acids and derivatives
ClassyFire class:	Carboxylic acids and derivatives
ClassyFire subclass:	Amino acids, peptides, and analogues
ClassyFire direct parent:	Amino acids and derivatives
SMILES:	c1ccc(cc1)C[C@@H](C(=O)O)NC=O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	759256
CHEBI ID:	133534
HMDB ID:	HMDB0240317
Chemspider ID:	663938

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