In-Silico Structure Database (LMISSD)
Common Name
TG(11:0/20:4(6E,8Z,11Z,14Z)/18:2(2E,4E))
Systematic Name
1-undecanoyl-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-3-(2E,4E-octadecadienoyl)-sn-glycerol
LM ID
LMGL03019IOZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
808.658090
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
HVIBHXDIEIQIMZ-YVWWEUMESA-N
InChi (Click to copy)
InChI=1S/C52H88O6/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/h16,19,23,25,28,30,32,34,36,39,42,45,49H,4-15,17-18,20-22,24,26-27,29,31,33,35,37-38,40-41,43-44,46-48H2,1-3H3/b19-16-,25-23-,30-28-,34-32+,39-36+,45-42-/t49-/m1/s1
SMILES (Click to copy)
C(OC(=O)/C=C\C=C\CCCCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCC)=O