Metabolomics Structure Database

 
MW REGNO: 2733
Common Name:(+/-)-11-HEPE
Systematic Name:(+/-)-11-hydroxy-5Z,8Z,12E,14Z,17Z-eicosapentaenoic acid
RefMet Name:11-HEPE
Synonyms:11-HEPE [PubChem Synonyms]
Exact Mass:
318.2195 (neutral)    Calculate m/z:
Formula:C20H30O3
InChIKey:IDEHSDHMEMMYIR-WSAGHCNZSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Eicosanoids [FA03]
LIPID MAPS subclass:Hydroxy/hydroperoxyeicosapentaenoic acids [FA0307]
SMILES:CC/C=CC/C=CC=CC(C/C=CC/C=CCCCC(=O)O)O
Studies:Available studies (via RefMet name)

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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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