In-Silico Structure Database (LMISSD)
Common Name
TG(36:0/22:4(7Z,10Z,13Z,16Z)/26:2(5Z,9Z))
Systematic Name
1-hexatriacontanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(5Z,9Z-hexacosadienoyl)-sn-glycerol
LM ID
LMGL0301K1SJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1299.205840
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
QKCLDPIZNQXZQA-DOMAANMTSA-N
InChi (Click to copy)
InChI=1S/C87H158O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-39-40-41-42-43-44-45-46-47-49-51-54-56-59-62-65-68-71-74-77-80-86(89)92-83-84(93-87(90)81-78-75-72-69-66-63-60-57-52-33-30-27-24-21-18-15-12-9-6-3)82-91-85(88)79-76-73-70-67-64-61-58-55-53-50-48-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,52,55,57-58,63,66-67,70,84H,4-17,19-20,22-26,28-29,31-51,53-54,56,59-62,64-65,68-69,71-83H2,1-3H3/b21-18-,30-27-,57-52-,58-55-,66-63-,70-67-/t84-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O