Metabolomics Structure Database

 
MW REGNO: 4678
Common Name:11(12)-EpETrE-EA
Systematic Name:N-((+/-)-11(12)-epoxy-5Z,8Z,14Z-eicosatrienoyl)-ethanolamine
RefMet Name:11(12)-EpETrE-EA
Synonyms: [PubChem Synonyms]
Exact Mass:
363.2773 (neutral)    Calculate m/z:
Formula:C22H37NO3
InChIKey:TYRRSRADDAROSO-KROJNAHFSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty amides [FA08]
LIPID MAPS subclass:N-acyl ethanolamines (endocannabinoids) [FA0804]
SMILES:CCCCC/C=CCC1OC1C/C=CC/C=CCCCC(=O)NCCO
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:16061183
LIPID MAPS ID:LMFA08040034
CHEBI ID:136990
HMDB ID:HMDB0013652
Chemspider ID:17220862

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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