In-Silico Structure Database (LMISSD)
Common Name
TG(36:0/20:1(11E)/26:2(5E,9Z))
Systematic Name
1-hexatriacontanoyl-2-(11E-eicosenoyl)-3-(5Z,9E-hexacosadienoyl)-sn-glycerol
LM ID
LMGL0301K0KO
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)
HQSFOCBJVMKRKU-NCYBFDCNSA-N
InChi (Click to copy)
InChI=1S/C85H160O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-38-39-40-41-42-43-44-45-46-48-50-52-55-57-60-63-66-69-72-75-78-84(87)90-81-82(91-85(88)79-76-73-70-67-64-61-58-53-30-27-24-21-18-15-12-9-6-3)80-89-83(86)77-74-71-68-65-62-59-56-54-51-49-47-36-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,54,56,65,68,82H,4-26,28-29,31-53,55,57-64,66-67,69-81H2,1-3H3/b30-27+,56-54-,68-65+/t82-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC/C=C/CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O