Metabolomics Structure Database

 
MW REGNO: 35
Common Name:Tridecylic acid
Systematic Name:tridecanoic acid
RefMet Name:Tridecylic acid
Synonyms:C13:0 [PubChem Synonyms]
Exact Mass:
214.1933 (neutral)    Calculate m/z:
Formula:C13H26O2
InChIKey:SZHOJFHSIKHZHA-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Straight chain fatty acids [FA0101]
Massbank MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:CCCCCCCCCCCCC(=O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:12530
LIPID MAPS ID:LMFA01010013
CHEBI ID:45919
HMDB ID:HMDB0000910
KEGG ID:C17076
Chemspider ID:12013
METLIN ID:5866
NP-MRD ID(NMR):NP0000739
Plant Metabolite Hub(Pmhub):MS000001077

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

  logo