Metabolomics Structure Database

 
MW REGNO: 553
Common Name:Linoleic acid
Systematic Name:9Z,12Z-octadecadienoic acid
Synonyms:cis-9, cis-12-octadecadienoic acid; cis,cis-Linoleic acid; cis,cis-9,12-octadecadienoic acid; Linoleate; 9Z,12Z-Linoleic acid; Telfairic acid; C18:2n-6,9 [PubChem Synonyms]
Exact Mass:
280.2402 (neutral)    Calculate m/z:
Formula:C18H32O2
InChIKey:OYHQOLUKZRVURQ-HZJYTTRNSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Unsaturated fatty acids [FA0103]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:5280450
LIPID MAPS ID:LMFA01030120
CHEBI ID:17351
HMDB ID:HMDB0000673
KEGG ID:C01595
Chemspider ID:4444105
METLIN ID:191
BMRB ID:bmse000604
MetaCyc ID:LINOLEIC_ACID
EPA CompTox DB:DTXCID8036578

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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