Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0OHO
MW REGNO: 79
Common Name:Sarcinic acid
Systematic Name:12-methyl-tetradecanoic acid
Synonyms:12-methyl myristic acid; Anteisopentadecanoic acid [PubChem Synonyms]
Exact Mass:
242.2246 (neutral)    Calculate m/z:
Formula:C15H30O2
InChIKey:XKLJLHAPJBUBNL-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Branched fatty acids [FA0102]
Massbank MS spectra:View MS spectra
SMILES:CCC(C)CCCCCCCCCCC(=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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