Compound Identification
SMILES
[K+].NC1=NC(=O)C2=C(N1)N(C=N2)C1O[C@@H]2COP(O)(=S)O[C@@H]3[C@@H](COP([O-])(=O)O[C@H]2[C@H]1O)O[C@H]([C@@H]3O)N1C=NC2=C1NC(N)=NC2=O
InChIKey
InChIKey=MYXMUNXVMOEFNY-ULMMNFDGSA-M
Formula
C20H23KN10O13P2S
Mass
744.57
Taxonomic Classification
Taxonomy Tree
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
(3'->5')-dinucleotides and analogues
Subclass
(3'->5')-cyclic dinucleotides and analogues
Intermediate Tree Nodes
Not available
Direct Parent
(3'->5')-cyclic dinucleotide phosphoromonothioate analogues
Alternative Parents
Pentose phosphates Glycosylamines Hypoxanthines Monosaccharide phosphates 6-oxopurines Thiophosphate diesters Aminopyrimidines and derivatives Pyrimidones Organic phosphoric acids and derivatives N-substituted imidazoles Oxolanes Vinylogous amides Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic potassium salts Organic zwitterions Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
(3'->5')-cyclic dinucleotide phosphoromonothioate analogue - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Monosaccharide phosphate - Hypoxanthine - Imidazopyrimidine - Purine - Aminopyrimidine - Thiophosphate diester - Pyrimidone - Thiophosphoric acid ester - Monosaccharide - Organic phosphoric acid derivative - N-substituted imidazole - Organic thiophosphoric acid or derivatives - Pyrimidine - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Oxolane - Secondary alcohol - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Polyol - Organic salt - Organic oxygen compound - Organic potassium salt - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as (3'->5')-cyclic dinucleotide phosphoromonothioate analogues. These are cyclic compounds consisting of two ribose moieties connected one 5',3'-phosphomonothioic acid O,O'-diester bond and one phosphodiester bond, to form a cycle. Each ribose unit is N-linked to a nucleic base or an analogue thereof.
External Descriptors
Not available