In-Silico Structure Database (LMISSD)
Common Name
TG(26:1(5Z)/22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Systematic Name
1-(5Z-hexacosenoyl)-2-(13Z-docosenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol
LM ID
LMGL0301I4JP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1072.939790
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
APCVSUYYDWHZDM-BKPHSCEQSA-N
InChi (Click to copy)
InChI=1S/C71H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-36-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(66-75-69(72)63-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)77-71(74)65-62-59-56-53-50-47-44-41-37-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29-30,42,45,51-52,54-55,68H,4-8,10-11,13-17,19-20,22-25,28,31-41,43-44,46-50,53,56-67H2,1-3H3/b12-9-,21-18-,29-26-,30-27-,45-42-,54-51-,55-52-/t68-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O