In-Silico Structure Database (LMISSD)
Common Name
TG(13:0/13:0/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1,2-di-tridecanoyl-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL03019QGU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
796.658090
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
YVIDDQKVEHTIOK-FZCFNIMBSA-N
InChi (Click to copy)
InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-33-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-32-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-20-17-14-11-8-5-2/h16,19,23-24,26-27,29-30,35,38,48H,4-15,17-18,20-22,25,28,31-34,36-37,39-47H2,1-3H3/b19-16-,24-23-,27-26-,30-29-,38-35-/t48-/m1/s1
SMILES (Click to copy)
C(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCCCCCCC)=O