Metabolomics Structure Database

 
MW REGNO: 4659
Common Name:Palmitoyl-EA
Systematic Name:N-hexadecanoyl-ethanolamine
RefMet Name:Palmitoyl-EA
Synonyms:Palmitoyl ethanolamide; palmitoylethanolamide; Anandamide (16:0); N-palmitoyl ethanolamine [PubChem Synonyms]
Exact Mass:
299.2824 (neutral)    Calculate m/z:
Formula:C18H37NO2
InChIKey:HXYVTAGFYLMHSO-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:CCCCCCCCCCCCCCCC(=O)NCCO
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:4671
LIPID MAPS ID:LMFA08040013
CHEBI ID:71464
HMDB ID:HMDB0002100
KEGG ID:C16512
Chemspider ID:4509

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

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