In-Silico Structure Database (LMISSD)
Common Name
TG(10:0/13:0/20:4(5Z,8Z,10E,14Z))
Systematic Name
1-decanoyl-2-tridecanoyl-3-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL03019AIG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
728.595490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
KSMKKMDXIVIHGG-ODDBTCIJSA-N
InChi (Click to copy)
InChI=1S/C46H80O6/c1-4-7-10-13-16-18-20-21-22-23-24-25-26-28-30-33-36-39-45(48)51-42-43(41-50-44(47)38-35-32-29-15-12-9-6-3)52-46(49)40-37-34-31-27-19-17-14-11-8-5-2/h16,18,22-25,28,30,43H,4-15,17,19-21,26-27,29,31-42H2,1-3H3/b18-16-,23-22+,25-24-,30-28-/t43-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCCCC)=O