In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/35:0/22:2(13Z,16Z))
Systematic Name
1-nonatriacontanoyl-2-pentatriacontanoyl-3-(13Z,16Z-docosadienoyl)-sn-glycerol
LM ID
LMGL0301LI68
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1475.456240
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
VBIJGOFZFCJSFF-UWCZLNQYSA-N
InChi (Click to copy)
InChI=1S/C99H190O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-44-46-48-49-50-51-53-54-56-58-60-62-65-68-71-74-77-80-83-86-89-92-98(101)104-95-96(94-103-97(100)91-88-85-82-79-76-73-70-67-64-33-30-27-24-21-18-15-12-9-6-3)105-99(102)93-90-87-84-81-78-75-72-69-66-63-61-59-57-55-52-47-45-43-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,96H,4-17,19-20,22-26,28-29,31-95H2,1-3H3/b21-18-,30-27-/t96-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O