Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	45457
Common Name:	Lauroyl diethanolamide
Systematic Name:	N,N-bis(2-hydroxyethyl)dodecanamide
RefMet Name:	Lauroyl diethanolamide
Synonyms:	[PubChem Synonyms]
Exact Mass:	287.2460 (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:	C16H33NO3
InChIKey:	AOMUHOFOVNGZAN-UHFFFAOYSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty amides [FA08]
LIPID MAPS subclass:	N-acyl ethanolamines (endocannabinoids) [FA0804]
MoNA MS spectra:	View MS spectra
SMILES:	CCCCCCCCCCCC(=O)N(CCO)CCO
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	8430
LIPID MAPS ID:	LMFA08040058
CHEBI ID:	143726
HMDB ID:	HMDB0032358
Chemspider ID:	8123
Marine Natural Products DB:	CMNPD24389
Plant Metabolite Hub(Pmhub):	MS000007895

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