In-Silico Structure Database (LMISSD)
Common Name
TG(20:4(5Z,8Z,10E,14Z)/39:0/26:2(5Z,9Z))
Systematic Name
1-(5Z,8Z,10E,14Z-eicosatetraenoyl)-2-nonatriacontanoyl-3-(5Z,9Z-hexacosadienoyl)-sn-glycerol
LM ID
LMGL0301F2SI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1313.221490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
MVIHSMXLLCWZQI-CKVOZUQGSA-N
InChi (Click to copy)
InChI=1S/C88H160O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-38-39-40-41-42-43-44-45-46-47-48-49-51-53-55-58-61-64-67-70-73-76-79-82-88(91)94-85(83-92-86(89)80-77-74-71-68-65-62-59-56-30-27-24-21-18-15-12-9-6-3)84-93-87(90)81-78-75-72-69-66-63-60-57-54-52-50-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,30,56-57,59-60,62,68-69,71-72,85H,4-17,19-20,22-29,31-55,58,61,63-67,70,73-84H2,1-3H3/b21-18-,56-30+,60-57-,62-59-,71-68-,72-69-/t85-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O