In-Silico Structure Database (LMISSD)
Common Name
TG(28:0/20:1(13E)/34:0)
Systematic Name
1-octacosanoyl-2-(13E-eicosenoyl)-3-tetratriacontanoyl-sn-glycerol
LM ID
LMGL0301JT6O
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)
GYKRKUNMVCOTEZ-RRVUFVBGSA-N
InChi (Click to copy)
InChI=1S/C85H164O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-40-41-42-43-44-46-48-50-52-55-57-60-63-66-69-72-75-78-84(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)77-74-71-68-65-62-59-56-54-51-49-47-45-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24,82H,4-20,22-23,25-81H2,1-3H3/b24-21+/t82-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC/C=C/CCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O