In-Silico Structure Database (LMISSD)
Common Name
TG(13:0/22:5(4Z,7Z,10Z,13Z,16Z)/13:0)
Systematic Name
1,3-di-tridecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL03019TTK
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)
NOCMOMBCJVKQNF-KWOYRVHISA-N
InChi (Click to copy)
InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-21-18-15-12-9-6-3/h16,19,23-24,26-27,29-30,36,39,48H,4-15,17-18,20-22,25,28,31-35,37-38,40-47H2,1-3H3/b19-16-,24-23-,27-26-,30-29-,39-36-
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCC)=O