Metabolomics Structure Database

 
MW REGNO: 8970
Common Name:Triacetin
Systematic Name:1,2,3-triacetyl-sn-glycerol
RefMet Name:Triacetin
Synonyms:1,2,3-triacetoxypropane; glycerin triacetate; 1,2,3-triacetyl-glycerol [PubChem Synonyms]
Exact Mass:
218.0790 (neutral)    Calculate m/z:
Formula:C9H14O6
InChIKey:URAYPUMNDPQOKB-UHFFFAOYSA-N
LIPID MAPS Category:Glycerolipids [GL]
LIPID MAPS mainclass:Triradylglycerols [GL03]
LIPID MAPS subclass:Triacylglycerols [GL0301]
Massbank MS spectra:View MS spectra
SMILES:CC(=O)OC(COC(C)=O)COC(C)=O
Studies:Available studies (via RefMet name)

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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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