In-Silico Structure Database (LMISSD)
Common Name
TG(11:0/18:3(6Z,9Z,12Z)/20:2(5Z,8Z))
Systematic Name
1-undecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(5Z,8Z-eicosadienoyl)-sn-glycerol
LM ID
LMGL03019HJY
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)
KZOQUUZFWXFGKZ-FMCKKQMHSA-N
InChi (Click to copy)
InChI=1S/C52H90O6/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/h17,20,24,27-29,32-34,36,49H,4-16,18-19,21-23,25-26,30-31,35,37-48H2,1-3H3/b20-17-,27-24-,29-28-,34-32-,36-33-/t49-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\CCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCC)=O