In-Silico Structure Database (LMISSD)
Common Name
TG(26:1(5Z)/19:0/37:0)
Systematic Name
1-(5Z-hexacosenoyl)-2-nonadecanoyl-3-heptatriacontanoyl-sn-glycerol
LM ID
LMGL0301I3CQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1281.252790
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
KXPLSEMRBVRHAG-VYLSFAACSA-N
InChi (Click to copy)
InChI=1S/C85H164O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-38-39-40-41-42-43-44-45-46-47-49-51-53-55-58-60-63-66-69-72-75-78-84(87)90-81-82(91-85(88)79-76-73-70-67-64-61-56-30-27-24-21-18-15-12-9-6-3)80-89-83(86)77-74-71-68-65-62-59-57-54-52-50-48-36-34-32-29-26-23-20-17-14-11-8-5-2/h65,68,82H,4-64,66-67,69-81H2,1-3H3/b68-65-/t82-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O