In-Silico Structure Database (LMISSD)
Common Name
TG(20:1(11Z)/26:1(5Z)/37:0)
Systematic Name
1-(11Z-eicosenoyl)-2-(5Z-hexacosenoyl)-3-heptatriacontanoyl-sn-glycerol
LM ID
LMGL0301EU81
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1293.252790
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
HWTXRRJLDCCPOO-IHWAXUNCSA-N
InChi (Click to copy)
InChI=1S/C86H164O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-38-39-40-41-42-43-44-45-46-47-49-50-52-55-58-61-64-67-70-73-76-79-85(88)91-82-83(81-90-84(87)78-75-72-69-66-63-60-57-54-30-27-24-21-18-15-12-9-6-3)92-86(89)80-77-74-71-68-65-62-59-56-53-51-48-36-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,68,71,83H,4-26,28-29,31-67,69-70,72-82H2,1-3H3/b30-27-,71-68-/t83-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCC/C=C\CCCCCCCC)=O