Structure Information
Structure

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

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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

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

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