In-Silico Structure Database (LMISSD)
Common Name
TG(22:5(7Z,10Z,13Z,16Z,19Z)/33:0/29:0)
Systematic Name
1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-tritriacontanoyl-3-nonacosanoyl-sn-glycerol
LM ID
LMGL0301HT63
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)
NTWKKQGWJVJXOA-BBNIQYLISA-N
InChi (Click to copy)
InChI=1S/C87H160O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-43-44-45-47-49-51-54-57-60-63-66-69-72-75-78-81-87(90)93-84(82-91-85(88)79-76-73-70-67-64-61-58-55-52-33-30-27-24-21-18-15-12-9-6-3)83-92-86(89)80-77-74-71-68-65-62-59-56-53-50-48-46-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,52,55,61,64,84H,4-8,10-11,13-17,19-20,22-26,28-29,31-51,53-54,56-60,62-63,65-83H2,1-3H3/b12-9-,21-18-,30-27-,55-52-,64-61-/t84-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O