In-Silico Structure Database (LMISSD)
Common Name
TG(20:4(5Z,8Z,10E,14Z)/23:0/20:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(5Z,8Z,10E,14Z-eicosatetraenoyl)-2-tricosanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301F1C6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1000.845890
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
KAZJUMWVWKHIRN-BMGPUUEDSA-N
InChi (Click to copy)
InChI=1S/C66H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2)62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26,29-30,35,37-38,40-41,46-47,49-50,63H,4-16,19,22-25,27-28,31-34,36,39,42-45,48,51-62H2,1-3H3/b20-17-,21-18-,29-26-,35-30+,40-37-,41-38-,49-46-,50-47-/t63-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O