In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03019CY4
Common NameTG(10:0/20:3(5Z,8Z,11Z)/10:0)
Systematic Name1,3-di-decanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol
SynonymsTG(40:3); TG(10:0_10:0_20:3)
Exact Mass
688.5642 (neutral)    Calculate m/z:
FormulaC43H76O6
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub ClassTriacylglycerols [GL0301]
PubChem Compound ID (CID)-
InChIKeyUULSJLUHLXUFRX-VPZCHLPKSA-N
InChIInChI=1S/C43H76O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-28-31-34-37-43(46)4
9-40(38-47-41(44)35-32-29-26-14-11-8-5-2)39-48-42(45)36-33-30-27-15-12-9-6-3/h19
-20,22-23,25,28,40H,4-18,21,24,26-27,29-39H2,1-3H3/b20-19-,23-22-,28-25-
SMILESC(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)