Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1867
Common Name:	L-Norleucine
Systematic Name:	2S-amino-hexanoic acid
RefMet Name:	Norleucine
Synonyms:	(S)-2-Aminohexanoic acid [PubChem Synonyms]
Exact Mass:	131.0946 (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:	C6H13NO2
InChIKey:	LRQKBLKVPFOOQJ-YFKPBYRVSA-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:	CCCC[C@@H](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:	21236
LIPID MAPS ID:	LMFA01100042
CHEBI ID:	18347
HMDB ID:	HMDB0001645
KEGG ID:	C01933
Chemspider ID:	19964
METLIN ID:	6334
BMRB ID:	bmse000411
EPA CompTox DB:	DTXCID90810731
Plant Metabolite Hub(Pmhub):	MS000001343

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