In-Silico Structure Database (LMISSD)
Common Name
TG(O-20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/30:0)
Systematic Name
1-(11Z-eicosenyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-triacontanoyl-sn-glycerol
LM ID
LMGL0302AKT9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1089.007475
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Alkyldiacylglycerols [GL0302]
String Representations
InChiKey (Click to copy)
OLLYRMQNNRCPLR-RVQIALHUSA-N
InChi (Click to copy)
InChI=1S/C73H132O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-36-37-38-39-40-41-43-45-48-51-54-57-60-63-66-72(74)77-70-71(69-76-68-65-62-59-56-53-50-47-44-32-29-26-23-20-17-14-11-8-5-2)78-73(75)67-64-61-58-55-52-49-46-42-30-27-24-21-18-15-12-9-6-3/h9,12,18,21,26-27,29-30,46,49,55,58,71H,4-8,10-11,13-17,19-20,22-25,28,31-45,47-48,50-54,56-57,59-70H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,49-46-,58-55-/t71-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COCCCCCCCCCC/C=C\CCCCCCCC