In-Silico Structure Database (LMISSD)
Common Name
TG(29:0/33:0/20:3(5Z,8Z,11Z))
Systematic Name
1-nonacosanoyl-2-tritriacontanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol
LM ID
LMGL0301J1WO
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)
RWYHSNAHGQLUMA-PYYOREIESA-N
InChi (Click to copy)
InChI=1S/C85H160O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-42-43-44-46-48-50-52-55-58-61-64-67-70-73-76-79-85(88)91-82(80-89-83(86)77-74-71-68-65-62-59-56-53-30-27-24-21-18-15-12-9-6-3)81-90-84(87)78-75-72-69-66-63-60-57-54-51-49-47-45-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,56,59,65,68,82H,4-26,28-29,31-55,57-58,60-64,66-67,69-81H2,1-3H3/b30-27-,59-56-,68-65-/t82-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O