Metabolomics Structure Database

 
MW REGNO: 39
Common Name:Stearic acid
Systematic Name:octadecanoic acid
Synonyms:Cetylacetic acid; Stearate; n-Octadecanoic acid; Octadecanoate; C18:0 [PubChem Synonyms]
Exact Mass:
284.2715 (neutral)    Calculate m/z:
Formula:C18H36O2
InChIKey:QIQXTHQIDYTFRH-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 spectra
Studies:Available studies

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External database links:

PubChem CID:5281
LIPID MAPS ID:LMFA01010018
CHEBI ID:28842
HMDB ID:HMDB0000827
KEGG ID:C01530
Chemspider ID:5091
METLIN ID:189
BMRB ID:bmse000485
MetaCyc ID:STEARIC_ACID

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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