Metabolomics Structure Database

 
MW REGNO: 2135
Common Name:E,E-13-HpODE
Systematic Name:9-hydroperoxy-9E,11E-octadecadienoic acid
RefMet Name:E,E-13-HpODE
Synonyms: [PubChem Synonyms]
Exact Mass:
312.2301 (neutral)    Calculate m/z:
Formula:C18H32O4
InChIKey:JDSRHVWSAMTSSN-KDFHGORWSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Octadecanoids [FA02]
LIPID MAPS subclass:Other Octadecanoids [FA0200]
SMILES:CCCCCC(/C=C/C=C/CCCCCCCC(=O)O)OO
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5353275
LIPID MAPS ID:LMFA02000099
CHEBI ID:165781

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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