In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)/24:1(15Z))
Systematic Name
1-nonatriacontanoyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-3-(15Z-tetracosenoyl)-sn-glycerol
LM ID
LMGL0301LHXC
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)
UDDYIKZZJUBTRZ-XIHRWGICSA-N
InChi (Click to copy)
InChI=1S/C88H158O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-52-55-57-60-63-66-69-72-75-78-81-87(90)93-84-85(94-88(91)82-79-76-73-70-67-64-61-58-53-33-30-27-24-21-18-15-12-9-6-3)83-92-86(89)80-77-74-71-68-65-62-59-56-54-51-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26,29-30,33,53,58,64,67,73,76,85H,4-8,10-11,13-17,19-20,22-25,27-28,31-32,34-52,54-57,59-63,65-66,68-72,74-75,77-84H2,1-3H3/b12-9-,21-18-,29-26-,33-30+,58-53-,67-64-,76-73-/t85-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O