In-Silico Structure Database (LMISSD)
Common Name
TG(20:2(11Z,14Z)/18:2(9E,12E)/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-(11Z,14Z-eicosadienoyl)-2-(9E,12E-octadecadienoyl)-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL0301E8OJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
956.783290
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
COZVSHKROVOQOP-WECJKJLXSA-N
InChi (Click to copy)
InChI=1S/C63H104O6/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/h16-21,25-29,31,33-34,38,41,47,50,60H,4-15,22-24,30,32,35-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,20-17-,21-18+,28-25-,29-26-,33-31-,34-27+,41-38-,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\CCCCC)[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)COC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O