In-Silico Structure Database (LMISSD)
Common Name
TG(25:0/39:0/18:3(6Z,9Z,12Z))
Systematic Name
1-pentacosanoyl-2-nonatriacontanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol
LM ID
LMGL0301IVRA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1277.221490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
OIAAIPOEAWZWEM-OPKPRNMESA-N
InChi (Click to copy)
InChI=1S/C85H160O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-37-38-39-40-41-42-43-44-45-46-47-48-49-51-53-55-58-61-64-67-70-73-76-79-85(88)91-82(80-89-83(86)77-74-71-68-65-62-59-56-27-24-21-18-15-12-9-6-3)81-90-84(87)78-75-72-69-66-63-60-57-54-52-50-35-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,56,62,65,82H,4-17,19-20,22-26,28-55,57-61,63-64,66-81H2,1-3H3/b21-18-,56-27-,65-62-/t82-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCC)=O