Metabolomics Structure Database

 
MW REGNO: 34
Common Name:Lauric acid
Systematic Name:dodecanoic acid
Synonyms:n-Dodecanoic acid; Dodecanoate; Dodecylic acid; C12:0 [PubChem Synonyms]
Exact Mass:
200.1776 (neutral)    Calculate m/z:
Formula:C12H24O2
InChIKey:POULHZVOKOAJMA-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [LMFA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [LMFA01]
LIPID MAPS subclass:Straight chain fatty acids [LMFA0101]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:3893
LIPID MAPS ID:LMFA01010012
CHEBI ID:30805
HMDB ID:HMDB0000638
KEGG ID:C02679
Chemspider ID:3756
METLIN ID:5611
BMRB ID:bmse000509
MetaCyc ID:DODECANOATE

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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