In-Silico Structure Database (LMISSD)
Common Name
TG(11:0/20:2(5Z,8Z)/18:3(6Z,9Z,12Z))
Systematic Name
1-undecanoyl-2-(5Z,8Z-eicosadienoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol
LM ID
LMGL03019H80
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
810.673740
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
FPSCCPLMQPJQNG-JICASXQESA-N
InChi (Click to copy)
InChI=1S/C52H90O6/c1-4-7-10-13-16-19-21-23-25-26-28-30-32-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-29-27-24-22-20-17-14-11-8-5-2/h17,20,24,27-28,30-31,33-34,37,49H,4-16,18-19,21-23,25-26,29,32,35-36,38-48H2,1-3H3/b20-17-,27-24-,30-28-,33-31-,37-34-/t49-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)COC(CCCCCCCCCC)=O