In-Silico Structure Database (LMISSD)
Common Name
TG(18:2(2E,4E)/11:0/16:1(9Z))
Systematic Name
1-(2E,4E-octadecadienoyl)-2-undecanoyl-3-(9Z-hexadecenoyl)-sn-glycerol
LM ID
LMGL0301CTXJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
758.642440
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
DGSAFFBWDIFEGA-OKRGIDRRSA-N
InChi (Click to copy)
InChI=1S/C48H86O6/c1-4-7-10-13-16-19-21-23-24-26-28-30-33-35-38-41-47(50)53-44-45(54-48(51)42-39-36-31-18-15-12-9-6-3)43-52-46(49)40-37-34-32-29-27-25-22-20-17-14-11-8-5-2/h20,22,33,35,38,41,45H,4-19,21,23-32,34,36-37,39-40,42-44H2,1-3H3/b22-20-,35-33+,41-38+/t45-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(/C=C/C=C/CCCCCCCCCCCCC)=O