Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	4651
Common Name:	Anandamide (18:2, n-6)
Systematic Name:	N-(9Z,12Z-octadecadienoyl)-ethanolamine
RefMet Name:	Linoleoyl-EA
Synonyms:	N-cis-9-cis-12-Octadecadienoylethanolamine [PubChem Synonyms]
Exact Mass:	323.2824 (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:	C20H37NO2
InChIKey:	KQXDGUVSAAQARU-HZJYTTRNSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty amides [FA08]
LIPID MAPS subclass:	N-acyl ethanolamines (endocannabinoids) [FA0804]
SMILES:	CCCCC/C=CC/C=CCCCCCCCC(=O)NCCO
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5283446
LIPID MAPS ID:	LMFA08040004
CHEBI ID:	64032
HMDB ID:	HMDB0012252
Chemspider ID:	4446566
MetaCyc ID:	CPD6666-4
Plant Metabolite Hub(Pmhub):	MS000236104

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