In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/37:0/28:0)
Systematic Name
1-nonatriacontanoyl-2-heptatriacontanoyl-3-octacosanoyl-sn-glycerol
LM ID
LMGL0301LJCB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1591.612740
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
LVHJLORYOFTWJB-BBGHVSPVSA-N
InChi (Click to copy)
InChI=1S/C107H210O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-45-47-49-51-53-54-56-57-59-61-64-67-70-73-76-79-82-85-88-91-94-97-100-106(109)112-103-104(102-111-105(108)99-96-93-90-87-84-81-78-75-72-69-66-63-42-39-36-33-30-27-24-21-18-15-12-9-6-3)113-107(110)101-98-95-92-89-86-83-80-77-74-71-68-65-62-60-58-55-52-50-48-46-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h104H,4-103H2,1-3H3/t104-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O