In-Silico Structure Database (LMISSD)
Common Name
TG(26:1(5Z)/16:1(9Z)/26:2(5Z,9E))
Systematic Name
1-(5Z-hexacosenoyl)-2-(9Z-hexadecenoyl)-3-(5Z,9E-hexacosadienoyl)-sn-glycerol
LM ID
LMGL0301I1S2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1078.986740
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
GASSACIBXXPXAW-OZEDPBNPSA-N
InChi (Click to copy)
InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-41-43-46-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-45-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-47-44-42-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,41,43,51-52,54-55,68H,4-20,22-23,25-40,42,44-50,53,56-67H2,1-3H3/b24-21-,43-41+,54-51-,55-52-/t68-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O