Metabolomics Structure Database

 
MW REGNO: 87211
Common Name:5,6-DiHETE
Systematic Name:5,6-Dihydroxy-8Z,11Z,14Z,17Z-eicosatetraenoic acid
RefMet Name:5,6-DiHETE
Synonyms: [PubChem Synonyms]
Exact Mass:
336.2301 (neutral)    Calculate m/z:
Formula:C20H32O4
InChIKey:VPXVODYVPILPRC-LTKCOYKYSA-N
LIPID MAPS Category:Fatty Acyls
LIPID MAPS mainclass:Eicosanoids
LIPID MAPS subclass:HETE
SMILES:CC/C=C\C/C=C\C/C=C\C/C=C\CC(O)C(O)CCCC(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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