In-Silico Structure Database (LMISSD)
Common Name
TG(26:1(5Z)/20:4(6E,8Z,11Z,14Z)/38:0)
Systematic Name
1-(5Z-hexacosenoyl)-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-3-octatriacontanoyl-sn-glycerol
LM ID
LMGL0301I381
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1301.221490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
OUEJNWPORORZIU-WQTKJOLOSA-N
InChi (Click to copy)
InChI=1S/C87H160O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-38-39-40-41-42-43-44-45-46-47-48-50-52-54-57-59-62-65-68-71-74-77-80-86(89)92-83-84(93-87(90)81-78-75-72-69-66-63-60-55-30-27-24-21-18-15-12-9-6-3)82-91-85(88)79-76-73-70-67-64-61-58-56-53-51-49-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,60,63,66-67,69-70,84H,4-17,19-20,22-26,28-29,31-59,61-62,64-65,68,71-83H2,1-3H3/b21-18-,30-27-,63-60-,69-66+,70-67-/t84-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O