In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/39:0/20:5(5Z,8Z,11Z,14Z,17Z))
Systematic Name
1,2-di-nonatriacontanoyl-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol
LM ID
LMGL0301LJGC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1497.440590
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
VULOBRUSRJVFET-JKPJLNMFSA-N
InChi (Click to copy)
InChI=1S/C101H188O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-70-73-76-79-82-85-88-91-94-100(103)106-97-98(96-105-99(102)93-90-87-84-81-78-75-72-69-30-27-24-21-18-15-12-9-6-3)107-101(104)95-92-89-86-83-80-77-74-71-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,72,75,81,84,98H,4-8,10-11,13-17,19-20,22-26,28-29,31-71,73-74,76-80,82-83,85-97H2,1-3H3/b12-9-,21-18-,30-27-,75-72-,84-81-/t98-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O