In-Silico Structure Database (LMISSD)
Common Name
TG(18:3(6Z,9Z,12Z)/26:0/13:0)
Systematic Name
1-(6Z,9Z,12Z-octadecatrienoyl)-2-hexacosanoyl-3-tridecanoyl-sn-glycerol
LM ID
LMGL0301DTW2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
926.830240
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
XDUHLJSEMYRTBO-AFEHNCPESA-N
InChi (Click to copy)
InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-35-37-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-34-25-23-20-17-14-11-8-5-2/h17,20,25,34,38,41,57H,4-16,18-19,21-24,26-33,35-37,39-40,42-56H2,1-3H3/b20-17-,34-25-,41-38-/t57-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O