Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=CC=CC(=C1)C1=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=C1C1=CC(=CC=C1)C(C)=O)C(=O)N=C(N)N2

InChIKey

InChIKey=BWPCJXHWLNVHFF-PQZCKYNCSA-N

Formula

C36H36N10O16P2

Mass

926.686

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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 - Alkyl-phenylketone - Glycosyl compound - N-glycosyl compound - 2-phenylimidazole - 6-oxopurine - Hypoxanthine - Monosaccharide phosphate - Acetophenone - Imidazopyrimidine - Phenylketone - Purine - Aryl alkyl ketone - Aryl ketone - Benzoyl - Pyrimidone - Aminopyrimidine - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Oxolane - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Ketone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organic oxide - Amine - Primary amine - Organonitrogen compound - Organooxygen compound - 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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