In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/36:0/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-nonatriacontanoyl-2-hexatriacontanoyl-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL0301LI9M
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1483.424940
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
UYUSZSDJMFQNSR-NZUAZRPCSA-N
InChi (Click to copy)
InChI=1S/C100H186O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-44-46-48-49-50-52-53-55-57-59-61-63-66-69-72-75-78-81-84-87-90-93-99(102)105-96-97(95-104-98(101)92-89-86-83-80-77-74-71-68-65-33-30-27-24-21-18-15-12-9-6-3)106-100(103)94-91-88-85-82-79-76-73-70-67-64-62-60-58-56-54-51-47-45-43-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,65,68,74,77,97H,4-8,10-11,13-17,19-20,22-26,28-29,31-64,66-67,69-73,75-76,78-96H2,1-3H3/b12-9-,21-18-,30-27-,68-65-,77-74-/t97-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O