Metabolomics Structure Database

 
MW REGNO: 33
Common Name:Undecylic acid
Systematic Name:undecanoic acid
RefMet Name:Undecylic acid
Synonyms:Hendecanoic acid; C11:0 [PubChem Synonyms]
Exact Mass:
186.1620 (neutral)    Calculate m/z:
Formula:C11H22O2
InChIKey:ZDPHROOEEOARMN-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:CCCCCCCCCCC(=O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:8180
LIPID MAPS ID:LMFA01010011
CHEBI ID:32368
HMDB ID:HMDB0000947
KEGG ID:C17715
Chemspider ID:7888
METLIN ID:5894
BMRB ID:bmse000563
NP-MRD ID(NMR):NP0000812
Plant Metabolite Hub(Pmhub):MS000002070

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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