In-Silico Structure Database (LMISSD)
Common Name
TG(13:0/22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z))
Systematic Name
1-tridecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(9Z-tetradecenoyl)-sn-glycerol
LM ID
LMGL03019TTM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
808.658090
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
FPFOTNLXMKYBQF-WTJRTSLCSA-N
InChi (Click to copy)
InChI=1S/C52H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h14,16-17,19,23-24,26-27,29,31,37,40,49H,4-13,15,18,20-22,25,28,30,32-36,38-39,41-48H2,1-3H3/b17-14-,19-16-,24-23-,27-26-,31-29-,40-37-/t49-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCC)=O