In-Silico Structure Database (LMISSD)
Common Name
TG(27:0/39:0/27:0)
Systematic Name
1,3-di-heptacosanoyl-2-nonatriacontanoyl-sn-glycerol
LM ID
LMGL0301JROK
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)
XLOSEBUUJWVYOK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C96H188O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-44-45-46-47-48-49-50-51-52-53-54-57-60-63-66-69-72-75-78-81-84-87-90-96(99)102-93(91-100-94(97)88-85-82-79-76-73-70-67-64-61-58-55-41-38-35-32-29-26-23-20-17-14-11-8-5-2)92-101-95(98)89-86-83-80-77-74-71-68-65-62-59-56-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h93H,4-92H2,1-3H3
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O