Structure Information
Structure

Compound Identification

SMILES

CSC1=NC2=C(NC(N)=NC2=O)N1[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]([C@@H]3O)N1C2=C(N=C1SC)C(=O)N=C(N)N2

InChIKey

InChIKey=MXFLTROZPOWNHR-MHARETSRSA-N

Formula

C22H28N10O14P2S2

Mass

782.59

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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 dinucleotides and analogues

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

(3'->5')-cyclic dinucleotide or analogue - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Monosaccharide phosphate - Imidazopyrimidine - Purine - Aryl thioether - Pyrimidone - Alkylarylthioether - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Pyrimidine - Imidazole - Azole - Oxolane - Heteroaromatic compound - Vinylogous amide - Secondary alcohol - Azacycle - Sulfenyl compound - Thioether - Oxacycle - Polyol - Organoheterocyclic compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Primary amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as (3'->5')-cyclic dinucleotides and analogues. These are cyclic compounds consisting of two ribose moieties connected by two 5',3'-phosphodiester bonds to form a cycle. Each ribose unit is N-linked to a nucleic base or an analogue thereof. Some natural (3'->5')-cyclic dinucleotides include c-di-AMP. Synthetic derivatives are generally more elaborated molecules in which one or the two nucleobase moieties, and/or sugar residues, and/or phosphodiester linkers have been modified.

External Descriptors

Not available

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