In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/37:0/38:0)
Systematic Name
1-nonatriacontanoyl-2-heptatriacontanoyl-3-octatriacontanoyl-sn-glycerol
LM ID
LMGL0301LJCL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1731.769240
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
WQUNAWOIOJVNPJ-JQQNULMQSA-N
InChi (Click to copy)
InChI=1S/C117H230O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-60-63-65-68-71-74-77-80-83-86-89-92-95-98-101-104-107-110-116(119)122-113-114(123-117(120)111-108-105-102-99-96-93-90-87-84-81-78-75-72-69-66-61-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)112-121-115(118)109-106-103-100-97-94-91-88-85-82-79-76-73-70-67-64-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h114H,4-113H2,1-3H3/t114-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O