In-Silico Structure Database (LMISSD)
Common Name
TG(31:0/23:0/39:0)
Systematic Name
1-hentriacontanoyl-2-tricosanoyl-3-nonatriacontanoyl-sn-glycerol
LM ID
LMGL0301KBJM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1437.440590
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
CMPUXNRMYPHORW-FOBJCEMESA-N
InChi (Click to copy)
InChI=1S/C96H188O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-39-41-43-45-46-47-48-49-50-51-52-54-56-58-60-63-65-68-71-74-77-80-83-86-89-95(98)101-92-93(102-96(99)90-87-84-81-78-75-72-69-66-61-36-33-30-27-24-21-18-15-12-9-6-3)91-100-94(97)88-85-82-79-76-73-70-67-64-62-59-57-55-53-44-42-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h93H,4-92H2,1-3H3/t93-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O