Metabolomics Structure Database

 
MW REGNO: 37
Common Name:Pentadecylic acid
Systematic Name:pentadecanoic acid
RefMet Name:Pentadecylic acid
Synonyms:C15:0 [PubChem Synonyms]
Exact Mass:
242.2246 (neutral)    Calculate m/z:
Formula:C15H30O2
InChIKey:WQEPLUUGTLDZJY-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Straight chain fatty acids [FA0101]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:CCCCCCCCCCCCCCC(=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:13849
LIPID MAPS ID:LMFA01010015
CHEBI ID:42504
HMDB ID:HMDB0000826
KEGG ID:C16537
Chemspider ID:13249
METLIN ID:5789
BMRB ID:bmse000558
NP-MRD ID(NMR):NP0001484
Plant Metabolite Hub(Pmhub):MS000002523

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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