Structure Information
Structure

Compound Identification

SMILES

NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@@H]2COP(O)(=S)O[C@H]3[C@@H](COP(O)(=O)OC2[C@@H]1O)O[C@H](C3O)N1C=NC2=C1NC(N)=NC2=O

InChIKey

InChIKey=MKDAOQJBHSOXAD-GRAWKQKZSA-N

Formula

C20H24N10O13P2S

Mass

706.48

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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 - Hypoxanthine - Purinone - Monosaccharide phosphate - Purine - Imidazopyrimidine - Thiophosphate diester - Pyrimidone - Aminopyrimidine - N-substituted imidazole - Pyrimidine - Thiophosphoric acid ester - Organic phosphoric acid derivative - Organic thiophosphoric acid or derivatives - Monosaccharide - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Oxolane - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Polyol - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alcohol - 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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