In-Silico Structure Database (LMISSD)
Common Name
TG(18:2(9Z,11Z)/17:2(9Z,12Z)/13:0)
Systematic Name
1-(9Z,11Z-octadecadienoyl)-2-(9Z,12Z-heptadecadienoyl)-3-tridecanoyl-sn-glycerol
LM ID
LMGL0301DFYG
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)
GLYJGYZCPSTWQZ-BIGKDHPCSA-N
InChi (Click to copy)
InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h14,17,19,22-26,48H,4-13,15-16,18,20-21,27-47H2,1-3H3/b17-14-,22-19-,25-23-,26-24-/t48-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)COC(CCCCCCC/C=C\C=C/CCCCCC)=O