In-Silico Structure Database (LMISSD)
Common Name
TG(22:2(13Z,16Z)/20:4(5Z,8Z,10E,14Z)/18:3(9Z,12Z,15Z))
Systematic Name
1-(13Z,16Z-docosadienoyl)-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
LM ID
LMGL0301HB8E
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)
QBHXLTWCVXVINL-XGSVTNKSSA-N
InChi (Click to copy)
InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25,27-29,32,34,36,39,45,48,60H,4-8,10-11,13-15,22-24,26,30-31,33,35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,32-29+,34-27-,39-36-,48-45-/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)COC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O