In-Silico Structure Database (LMISSD)
Common Name
TG(32:0/32:0/18:3(9Z,12Z,15Z))
Systematic Name
1,2-di-dotriacontanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
LM ID
LMGL0301KHR5
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)
NWAKQWTXNXDKJP-YTIKZRPMSA-N
InChi (Click to copy)
InChI=1S/C85H160O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-46-48-50-52-54-57-60-63-66-69-72-75-78-84(87)90-81-82(80-89-83(86)77-74-71-68-65-62-59-56-27-24-21-18-15-12-9-6-3)91-85(88)79-76-73-70-67-64-61-58-55-53-51-49-47-45-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,56,82H,4-8,10-11,13-17,19-20,22-26,28-55,57-81H2,1-3H3/b12-9-,21-18-,56-27-/t82-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O