In-Silico Structure Database (LMISSD)
Common Name
TG(18:1(6Z)/38:0/26:2(5Z,9Z))
Systematic Name
1-(6Z-octadecenoyl)-2-octatriacontanoyl-3-(5Z,9Z-hexacosadienoyl)-sn-glycerol
LM ID
LMGL0301CDT6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1277.221490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
PUJPCUXHAWCAGZ-AUMAXLRHSA-N
InChi (Click to copy)
InChI=1S/C85H160O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-37-38-39-40-41-42-43-44-45-46-47-49-51-53-55-58-61-64-67-70-73-76-79-85(88)91-82(80-89-83(86)77-74-71-68-65-62-59-56-27-24-21-18-15-12-9-6-3)81-90-84(87)78-75-72-69-66-63-60-57-54-52-50-48-35-33-31-29-26-23-20-17-14-11-8-5-2/h54,57,62,65-66,69,82H,4-53,55-56,58-61,63-64,67-68,70-81H2,1-3H3/b57-54-,65-62-,69-66-/t82-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\CCCCCCCCCCC)=O