In-Silico Structure Database (LMISSD)
Common Name
TG(20:4(5Z,8Z,10E,14Z)/18:3(6Z,9Z,12Z)/22:2(13Z,16Z))
Systematic Name
1-(5Z,8Z,10E,14Z-eicosatetraenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(13Z,16Z-docosadienoyl)-sn-glycerol
LM ID
LMGL0301FZF7
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)
KPKWPDGMMHUPMM-LMZGBALDSA-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/h16-21,25,27-29,32,34-35,37,42-43,45-46,60H,4-15,22-24,26,30-31,33,36,38-41,44,47-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,32-29+,34-27-,37-35-,45-42-,46-43-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O