Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37551
Common Name:	N-Formyl-L-methionine
Systematic Name:	(2R)-2-formamido-4-(methylsulfanyl)butanoic acid
RefMet Name:	N-Formylmethionine
Synonyms:	[PubChem Synonyms]
Exact Mass:	177.0460 (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:	C6H11NO3S
InChIKey:	PYUSHNKNPOHWEZ-RXMQYKEDSA-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:	Methionine and derivatives [C0004143]
MoNA MS spectra:	View MS spectra
SMILES:	CSCC[C@H](C(=O)O)NC=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	6995182
CHEBI ID:	16552
HMDB ID:	HMDB0001015
KEGG ID:	C03145
Chemspider ID:	5363142
METLIN ID:	5945
Plant Metabolite Hub(Pmhub):	MS000000987

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