In-Silico Structure Database (LMISSD)
Common Name
TG(39:0/39:0/31:0)
Systematic Name
1,2-di-nonatriacontanoyl-3-hentriacontanoyl-sn-glycerol
LM ID
LMGL0301LJG0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1661.690990
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
KMZWBLYVMNMRFZ-AVFZPRMASA-N
InChi (Click to copy)
InChI=1S/C112H220O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-51-53-55-57-59-61-63-66-69-72-75-78-81-84-87-90-93-96-99-102-105-111(114)117-108-109(107-116-110(113)104-101-98-95-92-89-86-83-80-77-74-71-68-65-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)118-112(115)106-103-100-97-94-91-88-85-82-79-76-73-70-67-64-62-60-58-56-54-52-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h109H,4-108H2,1-3H3/t109-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O