In-Silico Structure Database (LMISSD)
Common Name
TG(O-22:0/20:2(5Z,8Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Systematic Name
1-docosyl-2-(5Z,8Z-eicosadienoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol
LM ID
LMGL0302A5IB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
974.866625
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Alkyldiacylglycerols [GL0302]
String Representations
InChiKey (Click to copy)
YYYLBVRMSDFQSC-LVBBJGKKSA-N
InChi (Click to copy)
InChI=1S/C65H114O5/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-60-68-61-63(70-65(67)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)62-69-64(66)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,37-38,40-41,46-47,49-50,63H,4-7,9-10,12-16,18-19,21-25,27-28,30-36,39,42-45,48,51-62H2,1-3H3/b11-8-,20-17-,29-26-,40-37-,41-38-,49-46-,50-47-/t63-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCCCCCC