In-Silico Structure Database (LMISSD)
Common Name
TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/13:0)
Systematic Name
1-(11Z-octadecenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-tridecanoyl-sn-glycerol
LM ID
LMGL0301BPDX
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)
BKDVBWKRVXFKIK-GHRNHYIXSA-N
InChi (Click to copy)
InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,19-20,22,25,27,31,34,49H,4-7,9-10,12-16,18,21,23-24,26,28-30,32-33,35-48H2,1-3H3/b11-8-,20-17-,22-19-,27-25-,34-31-/t49-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCC/C=C\CCCCCC)=O