Metabolomics Structure Database

 
MW REGNO: 272
Common Name:16-methyl-6Z,9Z-heptadecadienoic acid
Systematic Name:16-methyl-6Z,9Z-heptadecadienoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
280.2402 (neutral)    Calculate m/z:
Formula:C18H32O2
InChIKey:YUHICVAXAPACQN-NIOMPZRHSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Branched fatty acids [FA0102]
SMILES:CC(C)CCCCC/C=C\C/C=C\CCCCC(O)=O
Studies:Available studies(via PubChem CID)

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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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