In-Silico Structure Database (LMISSD)
Common Name
TG(20:3(5Z,8Z,11Z)/18:2(9Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(5Z,8Z,11Z-eicosatrienoyl)-2-(9Z,11Z-octadecadienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
LM ID
LMGL0301FJDN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
952.751990
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
PEQYSSLUAHHGBQ-BAXCAPEZSA-N
InChi (Click to copy)
InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-29,31,33-35,37-38,41,43,46-47,50,60H,4-6,8-9,11-15,17-18,20,22-23,30,32,36,39-40,42,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-,50-47-/t60-/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/CCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O