Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37729
Common Name:	N6,N6,N6-Trimethyl-L-lysine
Systematic Name:	(2S)-2-amino-6-(trimethylazaniumyl)hexanoate
RefMet Name:	N-6-Trimethyllysine
Synonyms:	[PubChem Synonyms]
Exact Mass:	188.1525 (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:	C9H20N2O2
InChIKey:	MXNRLFUSFKVQSK-QMMMGPOBSA-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:	Alpha amino acids [C0002404]
MoNA MS spectra:	View MS spectra
SMILES:	C[N+](C)(C)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:	440120
CHEBI ID:	17311
HMDB ID:	HMDB0001325
KEGG ID:	C03793
Chemspider ID:	389120
METLIN ID:	6161
MetaCyc ID:	N6N6N6-TRIMETHYL-L-LYSINE
Plant Metabolite Hub(Pmhub):	MS000013582

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