Metabolomics Structure Database
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MW REGNO: | 126879 |
Common Name: | Ethyl Linoleate |
Systematic Name: | ethyl (9Z,12Z)-octadeca-9,12-dienoate |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C20H36O2 |
InChIKey: | FMMOOAYVCKXGMF-MURFETPASA-N |
ClassyFire superclass: | Lipids and lipid-like molecules [C0000012] |
ClassyFire class: | Fatty Acyls [C0003909] |
ClassyFire subclass: | Lineolic acids and derivatives [C0000504] |
SMILES: | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC |
Studies: | Available studies(via PubChem CID) |
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External database links:
PubChem CID: | 5282184 |
CHEMBL ID: | CHEMBL2106238 |
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