In-Silico Structure Database (LMISSD)
Common Name
TG(12:0/20:4(6E,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
Systematic Name
1-dodecanoyl-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol
LM ID
LMGL03019N0K
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
818.642440
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
MYGVCJREUAIGOD-HGVFPDJJSA-N
InChi (Click to copy)
InChI=1S/C53H86O6/c1-4-7-10-13-16-19-21-23-25-26-28-30-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-29-27-24-22-20-17-14-11-8-5-2/h8,11,16-17,19-20,23-25,27-28,30-32,34-35,50H,4-7,9-10,12-15,18,21-22,26,29,33,36-49H2,1-3H3/b11-8-,19-16-,20-17-,25-23-,27-24-,30-28-,34-31-,35-32+/t50-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCC)=O