Compound Identification
SMILES
[Na+].CCCC(=O)NC1=NC=NC2=C1N=C(N2[C@@H]1O[C@@H]2COP([O-])(=S)O[C@H]2[C@H]1O)C1=CC=CO1
InChIKey
InChIKey=JPPCERQFPVXGIZ-VPTZWOEUSA-M
Formula
C18H19N5NaO7PS
Mass
503.4
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Nucleoside and nucleotide analogues
Subclass
3',5'-cyclic purine nucleoside phosphorothioates
Intermediate Tree Nodes
Not available
Direct Parent
3',5'-cyclic purine nucleoside phosphorothioates
Alternative Parents
Glycosylamines Purines and purine derivatives N-arylamides Thiophosphoric acid esters Fatty amides Pyrimidines and pyrimidine derivatives Imidolactams Monosaccharides N-substituted imidazoles Furans Heteroaromatic compounds Oxolanes Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic sodium salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3',5'-cyclic purine nucleoside phosphorothioate - Glycosyl compound - N-glycosyl compound - Imidazopyrimidine - Purine - N-arylamide - Fatty amide - Monosaccharide - N-substituted imidazole - Thiophosphoric acid ester - Pyrimidine - Organic thiophosphoric acid or derivatives - Imidolactam - Fatty acyl - Heteroaromatic compound - Oxolane - Furan - Azole - Imidazole - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Oxacycle - Carboxylic acid derivative - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Alcohol - Carbonyl group - Organonitrogen compound - Organic sodium salt - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3',5'-cyclic purine nucleoside phosphorothioates. These are 3',5'-cyclic purine nucleoside phosphate analogues, where a phosphate oxygen has been exchanged for sulphur generating a chiral phosphorothioate. In 3',5'-cyclic nucleoside phosphorothioate, the oxygen atoms at the 3'- and 5'-positions of the ribose are part of the phosphorothioate group.
External Descriptors
Not available