In-Silico Structure Database (LMISSD)
Common Name
TG(37:0/26:1(5Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-heptatriacontanoyl-2-(5Z-hexacosenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
LM ID
LMGL0301K7SZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1311.205840
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
MIKWUGRZDVISJU-WDFYHJIBSA-N
InChi (Click to copy)
InChI=1S/C88H158O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-39-40-41-42-43-44-45-46-47-48-50-51-54-57-60-63-66-69-72-75-78-81-87(90)93-84-85(83-92-86(89)80-77-74-71-68-65-62-59-56-53-33-30-27-24-21-18-15-12-9-6-3)94-88(91)82-79-76-73-70-67-64-61-58-55-52-49-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,53,56,62,65,70-71,73-74,85H,4-8,10-11,13-17,19-20,22-26,28-29,31-52,54-55,57-61,63-64,66-69,72,75-84H2,1-3H3/b12-9-,21-18-,30-27-,56-53-,65-62-,73-70-,74-71-/t85-/m0/s1
SMILES (Click to copy)
C(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O