Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	4657
Common Name:	Anandamide (20:l, n-9)
Systematic Name:	N-(11Z-eicosaenoyl)-ethanolamine
RefMet Name:	11Z-Eicosaenoyl-EA
Synonyms:	N-cis-11 -eicosaenoylethanolamine [PubChem Synonyms]
Exact Mass:	353.3294 (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:	C22H43NO2
InChIKey:	YDKRGMXLBRWZJR-KTKRTIGZSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty amides [FA08]
LIPID MAPS subclass:	N-acyl ethanolamines (endocannabinoids) [FA0804]
SMILES:	CCCCCCCC/C=C\CCCCCCCCCC(=O)NCCO
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	5283452
LIPID MAPS ID:	LMFA08040010
CHEBI ID:	73725

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