In-Silico Structure Database (LMISSD)
Common Name
TG(11:0/22:5(4Z,7Z,10Z,13Z,16Z)/20:2(5Z,8Z))
Systematic Name
1-undecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(5Z,8Z-eicosadienoyl)-sn-glycerol
LM ID
LMGL03019I7W
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
862.705040
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
FHBDBVSHFOUQFZ-UKNMQLKQSA-N
InChi (Click to copy)
InChI=1S/C56H94O6/c1-4-7-10-13-16-19-21-23-25-27-28-30-32-34-36-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-33-31-29-26-24-22-20-17-14-11-8-5-2/h16,19,23,25,28,30-31,33-34,36-37,40-41,44,53H,4-15,17-18,20-22,24,26-27,29,32,35,38-39,42-43,45-52H2,1-3H3/b19-16-,25-23-,30-28-,33-31-,36-34-,40-37-,44-41-/t53-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\CCCCCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCC)=O