Metabolomics Structure Database

 
MW REGNO: 201069
Common Name:cis-9S,10R-EpOME
Systematic Name:8-[(2S,3R)-3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
296.2351 (neutral)    Calculate m/z:
Formula:C18H32O3
InChIKey:FBUKMFOXMZRGRB-XKJZPFPASA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Octadecanoids [FA02]
LIPID MAPS subclass:Other Octadecanoids [FA0200]
SMILES:CCCCC/C=CC[C@@H]1[C@H](CCCCCCCC(=O)O)O1
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:12097313

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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