Metabolomics Structure Database

 
MW REGNO: 4656
Common Name:Anandamide (22:6, n-3)
Systematic Name:N-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-ethanolamine
RefMet Name:Docosahexenoyl-EA
Synonyms:N-cis-4,7,10,13,16,19-docosahexanoylethanolamine [PubChem Synonyms]
Exact Mass:
371.2824 (neutral)    Calculate m/z:
Formula:C24H37NO2
InChIKey:GEEHOLRSGZPBSM-KUBAVDMBSA-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:CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCO
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5283451
LIPID MAPS ID:LMFA08040009
CHEBI ID:85252
HMDB ID:HMDB0013658
Chemspider ID:4446571
Plant Metabolite Hub(Pmhub):MS000013720

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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