Compound Identification
SMILES
[NH4+].[NH4+].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)(=S)O[C@@H]2[C@@H]1[O-])O[C@H]([C@@H]3[O-])N1C=NC2=C1NC(N)=NC2=O
InChIKey
InChIKey=NMAYOSLNIXKZNZ-FFFPSMFXSA-P
Formula
C20H30N12O12P2S2
Mass
756.6
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 bis(phosphoromonothioate) analogues
Alternative Parents
Glycosylamines 6-oxopurines Hypoxanthines Thiophosphate diesters Pyrimidones Aminopyrimidines and derivatives N-substituted imidazoles Monosaccharides Vinylogous amides Quaternary ammonium salts Oxolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Alkoxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
(3'->5')-cyclic dinucleotide bis(phosphoromonothioate) analogue - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Imidazopyrimidine - Purine - Aminopyrimidine - Pyrimidone - Thiophosphate diester - Monosaccharide - N-substituted imidazole - Thiophosphoric acid ester - Pyrimidine - Organic thiophosphoric acid or derivatives - Quaternary ammonium salt - Azole - Vinylogous amide - Oxolane - Heteroaromatic compound - Imidazole - Organoheterocyclic compound - Azacycle - Oxacycle - Organic salt - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkoxide - Primary amine - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as (3'->5')-cyclic dinucleotide bis(phosphoromonothioate) analogues. These are cyclic compounds consisting of two ribose moieties connected two 5',3'-phosphomonothioic acid O,O'-diester bonds to form a cycle. Each ribose unit is N-linked to a nucleic base or an analogue thereof.
External Descriptors
Not available