In-Silico Structure Database (LMISSD)
Common Name
TG(26:1(5Z)/22:4(7Z,10Z,13Z,16Z)/20:1(11Z))
Systematic Name
1-(5Z-hexacosenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(11Z-eicosenoyl)-sn-glycerol
LM ID
LMGL0301I4NY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1074.955440
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
DBUQZHPATQMHHM-XNBBLDJNSA-N
InChi (Click to copy)
InChI=1S/C71H126O6/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/h17,20,26-27,29-30,37,41,47,50,52,55,68H,4-16,18-19,21-25,28,31-36,38-40,42-46,48-49,51,53-54,56-67H2,1-3H3/b20-17-,29-26-,30-27-,41-37-,50-47-,55-52-/t68-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O