Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1848
Common Name:	2-amino-heptanoic acid
Systematic Name:	2-amino-heptanoic acid
RefMet Name:	2-Aminoheptanoic acid
Synonyms:	Heptanoic acid, 2-amino-, (1)-; Heptanoic acid, 2-amino-, DL-; (1)-2-Aminoheptanoic acid; alpha-DL-Aminoheptanoic acid; DL-Homonorleucine [PubChem Synonyms]
Exact Mass:	145.1103 (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:	C7H15NO2
InChIKey:	RDFMDVXONNIGBC-UHFFFAOYSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Amino fatty acids [FA0110]
SMILES:	CCCCCC(C(=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:	227939
LIPID MAPS ID:	LMFA01100015
CHEBI ID:	133223
HMDB ID:	HMDB0242128
Plant Metabolite Hub(Pmhub):	MS000040878

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