In-Silico Structure Database (LMISSD)
Common Name
TG(11:0/18:2(9E,12E)/20:4(6E,8Z,11Z,14Z))
Systematic Name
1-undecanoyl-2-(9E,12E-octadecadienoyl)-3-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL03019HC8
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)
CTUSCIJQWJYIPJ-CFKLWCCASA-N
InChi (Click to copy)
InChI=1S/C52H88O6/c1-4-7-10-13-16-19-21-23-25-26-28-29-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-18-15-12-9-6-3)58-52(55)46-43-40-37-34-32-30-27-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-25,27-29,31,33,49H,4-15,18,21-22,26,30,32,34-48H2,1-3H3/b19-16-,20-17+,25-23-,27-24+,29-28-,33-31+/t49-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)COC(CCCCCCCCCC)=O