Structure Information
Structure

Compound Identification

SMILES

CC1=CN([C@@H]2O[C@@H]3COP(O)(=O)O[C@@H]4[C@@H](COP(O)(=O)O[C@H]3[C@H]2O)O[C@H]([C@@H]4O)N2C=C(C)C(=O)NC2=O)C(=O)NC1=O

InChIKey

InChIKey=SZRJJLNZEFICKS-WATVCZEXSA-N

Formula

C20H26N4O16P2

Mass

640.388

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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 - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pyrimidone - Hydropyrimidine - Monosaccharide - Organic phosphoric acid derivative - Pyrimidine - Heteroaromatic compound - Oxolane - Vinylogous amide - Lactam - Urea - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen 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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