In-Silico Structure Database (LMISSD)
Common Name
TG(10:0/13:0/20:4(5E,8E,11E,14E))
Systematic Name
1-decanoyl-2-tridecanoyl-3-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL03019AIF
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)
ACKHDVFCIUXZPG-IYLKZDDFSA-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/h16,18,21-22,24-25,28,30,43H,4-15,17,19-20,23,26-27,29,31-42H2,1-3H3/b18-16+,22-21+,25-24+,30-28+/t43-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCCCC)=O