Metabolomics Structure Database

 
MW REGNO: 38542
Common Name:11,12-Epoxyeicosatrienoic acid
Systematic Name:(5E,8E)-10-{3-[(2E)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
320.2351 (neutral)    Calculate m/z:
Formula:C20H32O3
InChIKey:DXOYQVHGIODESM-ATELOPIESA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Eicosanoids [FA03]
LIPID MAPS subclass:Hepoxilins [FA0309]
SMILES:CCCCC/C=C/CC1OC1C/C=C/C/C=C/CCCC(=O)O
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:5353269
LIPID MAPS ID:LMFA03090011
HMDB ID:HMDB0004673
KEGG ID:C14770
Chemspider ID:4510033
METLIN ID:7069
Plant Metabolite Hub(Pmhub):MS000001043

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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