Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1866
Common Name:	2S-amino-pentanoic acid
Systematic Name:	2S-amino-pentanoic acid
RefMet Name:	2S-Aminopentanoic acid
Synonyms:	(S)-2-Aminopentanoic acid [PubChem Synonyms]
Exact Mass:	117.0790 (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:	C5H11NO2
InChIKey:	SNDPXSYFESPGGJ-BYPYZUCNSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Amino fatty acids [FA0110]
MoNA MS spectra:	View MS spectra
SMILES:	CCC[C@@H](C(=O)O)N
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	65098
LIPID MAPS ID:	LMFA01100041
CHEBI ID:	18314
KEGG ID:	C01826
MetaCyc ID:	L-2-AMINOPENTANOIC-ACID

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