In-Silico Structure Database (LMISSD)
Common Name
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/39:0)
Systematic Name
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(15Z-tetracosenoyl)-3-nonatriacontanoyl-sn-glycerol
LM ID
LMGL0301H3XT
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)
PISFPLSNOWSNGN-FCMGMWNISA-N
InChi (Click to copy)
InChI=1S/C88H158O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-52-54-57-60-63-66-69-72-75-78-81-87(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)82-79-76-73-70-67-64-61-58-55-51-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,53,56,62,65,71,74,85H,4-8,10-11,13-17,19-20,22-25,28,31-52,54-55,57-61,63-64,66-70,72-73,75-84H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,56-53-,65-62-,74-71-/t85-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O