In-Silico Structure Database (LMISSD)
Common Name
TG(O-18:1(9Z)/26:2(5Z,9E)/26:2(5Z,9E))
Systematic Name
1-(9Z-octadecenyl)-2-(5Z,9E-hexacosadienoyl)-3-(5Z,9E-hexacosadienoyl)-sn-glycerol
LM ID
LMGL0302ABCW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1091.023125
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Alkyldiacylglycerols [GL0302]
String Representations
InChiKey (Click to copy)
PXOCZOQUOHTWSS-ZBOZZBNYSA-N
InChi (Click to copy)
InChI=1S/C73H134O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-45-48-51-54-57-60-63-66-72(74)77-70-71(69-76-68-65-62-59-56-53-50-47-30-27-24-21-18-15-12-9-6-3)78-73(75)67-64-61-58-55-52-49-46-44-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,43-46,54-55,57-58,71H,4-26,28-29,31-42,47-53,56,59-70H2,1-3H3/b30-27-,45-43+,46-44+,57-54-,58-55-/t71-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCC