In-Silico Structure Database (LMISSD)
Common Name
TG(18:2(6Z,9Z)/13:0/17:2(9Z,12Z))
Systematic Name
1-(6Z,9Z-octadecadienoyl)-2-tridecanoyl-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol
LM ID
LMGL0301CZDL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
798.673740
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
HXZIWHHKWBDZCE-MGQXDGMHSA-N
InChi (Click to copy)
InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-31-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h14,17,23-26,30,33,48H,4-13,15-16,18-22,27-29,31-32,34-47H2,1-3H3/b17-14-,25-23-,26-24-,33-30-/t48-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\CCCCCCCC)=O