Metabolomics Structure Database

 
MW REGNO: 8973
Common Name:Trilauroyl-glycerol
Systematic Name:1,2,3-tridodecanoyl-sn-sn-glycerol
Synonyms:1,2,3-tridodecanoyl-glycerol; 1,2,3-tridodecanoyl-sn-glycerol [PubChem Synonyms]
Exact Mass:
638.5485 (neutral)    Calculate m/z:
Formula:C39H74O6
InChIKey:VMPHSYLJUKZBJJ-UHFFFAOYSA-N
LIPID MAPS Category:Glycerolipids [GL]
LIPID MAPS mainclass:Triradylglycerols [GL03]
LIPID MAPS subclass:Triacylglycerols [GL0301]
MoNA MS spectra:View MS spectra
SMILES:CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:10851
LIPID MAPS ID:LMGL03012618
CHEBI ID:77389
HMDB ID:HMDB0011188
Chemspider ID:10394
Plant Metabolite Hub(Pmhub):MS000080706

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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