Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1856
Common Name:	4-amino-pentanoic acid
Systematic Name:	4-amino-pentanoic acid
RefMet Name:	4-Aminopentanoic acid
Synonyms:	Pentanoic acid, 4-amino-, (1)-; Valeric acid, 4-amino-, (1)-; (1)-4-Aminopentanoic acid; (RS)-4-Aminopentanoic acid; (RS)-4-Methyl-gamma-aminobutyric 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:	ABSTXSZPGHDTAF-UHFFFAOYSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Amino fatty acids [FA0110]
SMILES:	CC(CCC(=O)O)N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	223130
LIPID MAPS ID:	LMFA01100023
CHEBI ID:	178408
KEGG ID:	C00334
Plant Metabolite Hub(Pmhub):	MS000007678

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