Metabolomics Structure Database

 
MW REGNO: 6357
Common Name:TG(18:0/18:0/18:0)
Systematic Name:1,2,3-trioctadecanoyl-sn-glycerol
RefMet Name:TG 18:0/18:0/18:0
Synonyms:1,2,3-trioctadecanoyl-glycerol [PubChem Synonyms]
Exact Mass:
890.8302 (neutral)    Calculate m/z:
Formula:C57H110O6
InChIKey:DCXXMTOCNZCJGO-UHFFFAOYSA-N
LIPID MAPS Category:Glycerolipids [GL]
LIPID MAPS mainclass:Triradylglycerols [GL03]
LIPID MAPS subclass:Triacylglycerols [GL0301]
Massbank MS spectra:View MS spectra
SMILES:CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
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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