In-Silico Structure Database (LMISSD)
Common Name
TG(20:4(5Z,8Z,10E,14Z)/37:0/26:1(5Z))
Systematic Name
1-(5Z,8Z,10E,14Z-eicosatetraenoyl)-2-heptatriacontanoyl-3-(5Z-hexacosenoyl)-sn-glycerol
LM ID
LMGL0301F2NT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1287.205840
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
NKLRATUGOYKNKY-COLQHEQFSA-N
InChi (Click to copy)
InChI=1S/C86H158O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-38-39-40-41-42-43-44-45-46-47-49-51-53-56-59-62-65-68-71-74-77-80-86(89)92-83(81-90-84(87)78-75-72-69-66-63-60-57-54-30-27-24-21-18-15-12-9-6-3)82-91-85(88)79-76-73-70-67-64-61-58-55-52-50-48-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,30,54,57,60,66-67,69-70,83H,4-17,19-20,22-29,31-53,55-56,58-59,61-65,68,71-82H2,1-3H3/b21-18-,54-30+,60-57-,69-66-,70-67-/t83-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\CCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O