Metabolomics Structure Database

 
MW REGNO: 80
Common Name:Isopentadecylic acid
Systematic Name:13-methyl-tetradecanoic acid
RefMet Name:Isopentadecylic acid
Synonyms:13-methylmyristic acid [PubChem Synonyms]
Exact Mass:
242.2246 (neutral)    Calculate m/z:
Formula:C15H30O2
InChIKey:ZOCYQVNGROEVLU-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:CC(C)CCCCCCCCCCCC(=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:151014
LIPID MAPS ID:LMFA01020009
CHEBI ID:39250
HMDB ID:HMDB0061707
Plant Metabolite Hub(Pmhub):MS000013788

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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