In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/26:2(5Z,9Z)/22:4(7Z,10Z,13Z,16Z))
Systematic Name
1-nonatriacontanoyl-2-(5Z,9Z-hexacosadienoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
LM ID
LMGL0301LIMI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1341.252790
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
UWJNHFQDQROHIF-LENNFSDMSA-N
InChi (Click to copy)
InChI=1S/C90H164O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-39-40-41-42-43-44-45-46-47-48-49-50-52-53-56-59-62-65-68-71-74-77-80-83-89(92)95-86-87(85-94-88(91)82-79-76-73-70-67-64-61-58-55-33-30-27-24-21-18-15-12-9-6-3)96-90(93)84-81-78-75-72-69-66-63-60-57-54-51-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,55,58,60,63-64,67,72,75,87H,4-17,19-20,22-26,28-29,31-54,56-57,59,61-62,65-66,68-71,73-74,76-86H2,1-3H3/b21-18-,30-27-,58-55-,63-60-,67-64-,75-72-/t87-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O