In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03019ABH
Common NameTG(10:0/10:0/20:3(8Z,11Z,14Z))
Systematic Name1,2-di-decanoyl-3-(8Z,11Z,14Z-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)-
InChIKeyLKIRCEYWXCRTIJ-PXUWDAEKSA-N
InChIInChI=1S/C43H76O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-28-30-33-36-42(45)4
8-39-40(49-43(46)37-34-31-27-15-12-9-6-3)38-47-41(44)35-32-29-26-14-11-8-5-2/h16
-17,19-20,22-23,40H,4-15,18,21,24-39H2,1-3H3/b17-16-,20-19-,23-22-/t40-/m1/s1
SMILESC(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)