Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	62847
Common Name:	Lauramidopropyl betaine
Systematic Name:	{2-[3-(dodecanoylamino)propyl]triazan-2-ium-2-yl}acetate
RefMet Name:	Lauramidopropyl betaine
Synonyms:	dodecanamidopropyl betaine [PubChem Synonyms]
Exact Mass:	344.2787 (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:	C17H36N4O3
InChIKey:	AWLNSWJVBZROPZ-UHFFFAOYSA-N
LIPID MAPS Category:	Fatty Acyls
LIPID MAPS mainclass:	Fatty amides
LIPID MAPS subclass:	Primary amides
Massbank MS spectra:	View MS spectra
SMILES:	CCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(N)N
Studies:	Available studies (via RefMet name)

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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