In-Silico Structure Database (LMISSD)
Common Name
TG(29:0/22:4(7Z,10Z,13Z,16Z)/26:2(5Z,9Z))
Systematic Name
1-nonacosanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(5Z,9Z-hexacosadienoyl)-sn-glycerol
LM ID
LMGL0301J0K0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1201.096290
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
IXKDHXSJQNZNLE-WWFOEBNJSA-N
InChi (Click to copy)
InChI=1S/C80H144O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-39-40-42-44-47-49-52-55-58-61-64-67-70-73-79(82)85-76-77(86-80(83)74-71-68-65-62-59-56-53-50-45-33-30-27-24-21-18-15-12-9-6-3)75-84-78(81)72-69-66-63-60-57-54-51-48-46-43-41-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,45,48,50-51,56,59-60,63,77H,4-17,19-20,22-26,28-29,31-44,46-47,49,52-55,57-58,61-62,64-76H2,1-3H3/b21-18-,30-27-,50-45-,51-48-,59-56-,63-60-/t77-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O