In-Silico Structure Database (LMISSD)
Common Name
TG(18:0/18:3(9Z,12Z,15Z)/11:0)
Systematic Name
1-octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-undecanoyl-sn-glycerol
LM ID
LMGL0301BEOU
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)
TZHFDKFTLDWARP-CRLYJIJRSA-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/h8,11,17,20,24,26,47H,4-7,9-10,12-16,18-19,21-23,25,27-46H2,1-3H3/b11-8-,20-17-,26-24-/t47-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCC)=O