In-Silico Structure Database (LMISSD)
Common Name
TG(11:0/18:3(6Z,9Z,12Z)/18:0)
Systematic Name
1-undecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-octadecanoyl-sn-glycerol
LM ID
LMGL03019HI7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
786.673740
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
KMFAIULVYZZTCP-QIGHUBHDSA-N
InChi (Click to copy)
InChI=1S/C50H90O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-18-15-12-9-6-3)56-50(53)44-41-38-35-32-30-28-26-24-22-20-17-14-11-8-5-2/h17,20,24,26,30,32,47H,4-16,18-19,21-23,25,27-29,31,33-46H2,1-3H3/b20-17-,26-24-,32-30-/t47-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCC)=O