In-Silico Structure Database (LMISSD)
Common Name
TG(10:0/18:4(9E,11E,13E,15E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-decanoyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
LM ID
LMGL03019CF0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
814.611140
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
NPXSRTZUNOWHMT-XQHLIFIGSA-N
InChi (Click to copy)
InChI=1S/C53H82O6/c1-4-7-10-13-16-18-20-22-24-25-26-27-29-30-32-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-15-12-9-6-3)59-53(56)47-44-41-38-35-33-31-28-23-21-19-17-14-11-8-5-2/h7-8,10-11,14,16-19,21-24,26-28,30,32,37,40,50H,4-6,9,12-13,15,20,25,29,31,33-36,38-39,41-49H2,1-3H3/b10-7-,11-8+,17-14+,18-16-,21-19+,24-22-,27-26-,28-23+,32-30-,40-37-/t50-/m1/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(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COC(CCCCCCCCC)=O