Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	52356
Common Name:	N(6),N(6)-dimethyl-L-lysine
Systematic Name:	N(6),N(6)-dimethyl-L-lysine
RefMet Name:	N(6),N(6)-Dimethyl-lysine
Synonyms:	(S)-2-amino-6-dimethylaminohexanoic acid; Epsilon N-dimethyllysine; Lys(Me2); N(6),N(6)-Dimethyl-L-lysine; N(6),N(6)-dimethyllysine; N(epsilon),N(epsilon)-dimethyl-L-lysine; N(epsilon),N(epsilon)-dimethyllysine; N(epsilon)-dimethyl-L-lysine; N(epsilon)-dimethyllysine [PubChem Synonyms]
Exact Mass:	174.1368 (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:	C8H18N2O2
InChIKey:	XXEWFEBMSGLYBY-ZETCQYMHSA-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:	CN(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:	193344
CHEBI ID:	43997

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