Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	4655
Common Name:	Anandamide (20:5, n-3)
Systematic Name:	N-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-ethanolamine
RefMet Name:	Eicosapentenoyl-EA
Synonyms:	N-cis-5,8, 11,14,17-eicosapentaenoylethanolamine [PubChem Synonyms]
Exact Mass:	345.2668 (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:	C22H35NO2
InChIKey:	OVKKNJPJQKTXIT-JLNKQSITSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty amides [FA08]
LIPID MAPS subclass:	N-acyl ethanolamines (endocannabinoids) [FA0804]
SMILES:	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5283450
LIPID MAPS ID:	LMFA08040008
CHEBI ID:	71467
HMDB ID:	HMDB0013649
Chemspider ID:	4446570
Plant Metabolite Hub(Pmhub):	MS000243294

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