In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03019ADQ
Common NameTG(10:0/11:0/20:2(5Z,8Z))
Systematic Name1-decanoyl-2-undecanoyl-3-(5Z,8Z-eicosadienoyl)-sn-glycerol
SynonymsTG(41:2); TG(10:0_11:0_20:2)
Exact Mass
704.5955 (neutral)    Calculate m/z:
FormulaC44H80O6
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub ClassTriacylglycerols [GL0301]
PubChem Compound ID (CID)-
InChIKeyCZLQMLCFHKXUGN-OTZVGXGDSA-N
InChIInChI=1S/C44H80O6/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-29-31-34-37-43(46)4
9-40-41(39-48-42(45)36-33-30-27-15-12-9-6-3)50-44(47)38-35-32-28-17-14-11-8-5-2/
h23-24,26,29,41H,4-22,25,27-28,30-40H2,1-3H3/b24-23-,29-26-/t41-/m1/s1
SMILESC(OC(=O)CCC/C=C\C/C=C\CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)