In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/36:0/33:0)
Systematic Name
1-nonatriacontanoyl-2-hexatriacontanoyl-3-tritriacontanoyl-sn-glycerol
LM ID
LMGL0301LI95
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1647.675340
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
QDEKVTNMDGVVCL-AXGTUFIBSA-N
InChi (Click to copy)
InChI=1S/C111H218O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-54-55-56-58-59-62-65-68-71-74-77-80-83-86-89-92-95-98-101-104-110(113)116-107-108(106-115-109(112)103-100-97-94-91-88-85-82-79-76-73-70-67-64-61-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)117-111(114)105-102-99-96-93-90-87-84-81-78-75-72-69-66-63-60-57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h108H,4-107H2,1-3H3/t108-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O