Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	4648
Common Name:	Anandamide (20:4, n-6)
Systematic Name:	N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine
RefMet Name:	Arachidonoyl-EA
Synonyms:	Anandamide; Anandamide(20:4, n-6); N-arachidonoyl ethanolamine; arachidonoylethanolamide; Arachidonoyl-EA; Arachidonoyl ethanolamide; AEA [PubChem Synonyms]
Exact Mass:	347.2824 (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:	C22H37NO2
InChIKey:	LGEQQWMQCRIYKG-DOFZRALJSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty amides [FA08]
LIPID MAPS subclass:	N-acyl ethanolamines (endocannabinoids) [FA0804]
Massbank MS spectra:	View MS spectra
SMILES:	CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)NCCO
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5281969
LIPID MAPS ID:	LMFA08040001
CHEBI ID:	2700
HMDB ID:	HMDB0004080
KEGG ID:	C11695
Chemspider ID:	4445241
MetaCyc ID:	CPD-7598
Plant Metabolite Hub(Pmhub):	MS000003989

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