In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/39:0/27:0)
Systematic Name
1,2-di-nonatriacontanoyl-3-heptacosanoyl-sn-glycerol
LM ID
LMGL0301LJGW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1605.628390
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
PYYLVZAFSYGYHV-NVSFZUDTSA-N
InChi (Click to copy)
InChI=1S/C108H212O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-45-47-49-51-53-55-57-59-61-63-65-68-71-74-77-80-83-86-89-92-95-98-101-107(110)113-104-105(103-112-106(109)100-97-94-91-88-85-82-79-76-73-70-67-42-39-36-33-30-27-24-21-18-15-12-9-6-3)114-108(111)102-99-96-93-90-87-84-81-78-75-72-69-66-64-62-60-58-56-54-52-50-48-46-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h105H,4-104H2,1-3H3/t105-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O