Compound Identification
SMILES
NC1=NC(=O)N(C=C1)[C@H]1C[C@@H]2OP(O)(=S)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]2O1)N1C=NC2=C(N)N=CN=C12
InChIKey
InChIKey=JPGHKLAAXHZGBI-LPNCVYLNSA-N
Formula
C19H24N8O10P2S
Mass
618.45
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
6-aminopurines Thiophosphate diesters Pyrimidones Aminopyrimidines and derivatives Organic phosphoric acids and derivatives N-substituted imidazoles Imidolactams Hydropyrimidines Tetrahydrofurans Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
(3'->5')-cyclic dinucleotide phosphoromonothioate analogue - 6-aminopurine - Purine - Imidazopyrimidine - Thiophosphate diester - Pyrimidone - Aminopyrimidine - Imidolactam - Organic thiophosphoric acid or derivatives - Pyrimidine - Thiophosphoric acid ester - Organic phosphoric acid derivative - N-substituted imidazole - Hydropyrimidine - Heteroaromatic compound - Tetrahydrofuran - Imidazole - Azole - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - 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