Compound Identification
SMILES
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)(=O)O[C@H]2[C@H]1O)O[C@H]([C@@H]3O)N1C=NC2=C1NC(N)=NC2=O
InChIKey
InChIKey=MKDAOQJBHSOXAD-ZCENPSOESA-N
Formula
C20H24N10O13P2S
Mass
706.48
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
Pentose phosphates Glycosylamines 6-oxopurines Monosaccharide phosphates Hypoxanthines Thiophosphate diesters Pyrimidones Aminopyrimidines and derivatives Primary aromatic amines Organic phosphoric acids and derivatives N-substituted imidazoles Vinylogous amides Oxolanes Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
(3'->5')-cyclic dinucleotide phosphoromonothioate analogue - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Monosaccharide phosphate - Purinone - Imidazopyrimidine - Purine - Thiophosphate diester - Pyrimidone - Aminopyrimidine - Organic thiophosphoric acid or derivatives - Monosaccharide - Pyrimidine - N-substituted imidazole - Organic phosphoric acid derivative - Primary aromatic amine - Thiophosphoric acid ester - Imidazole - Vinylogous amide - Azole - Oxolane - Heteroaromatic compound - Secondary alcohol - Azacycle - Polyol - Organoheterocyclic compound - Oxacycle - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Primary 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