Compound Identification
SMILES
CO[C@@H]1C(OP(O)(=S)OC[C@@H]2C[C@@H](O)[C@@H](O2)N2C=CC(N)=NC2=O)[C@@H](COP(O)(O)=O)O[C@H]1N1C=NC2=C1NC(N)=NC2=O
InChIKey
InChIKey=KJSPUXACKHWKQD-IAQXPTILSA-N
Formula
C20H28N8O13P2S
Mass
682.49
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
(3'->5')-dinucleotides and analogues
Subclass
(3'->5')-dinucleotide phosphorothioates
Intermediate Tree Nodes
Not available
Direct Parent
(3'->5')-dinucleotide phosphorothioates
Alternative Parents
Purine ribonucleoside monophosphates Pyrimidine 3'-deoxyribonucleosides Pentose phosphates Glycosylamines 6-oxopurines Hypoxanthines Monosaccharide phosphates Thiophosphate diesters Aminopyrimidines and derivatives Pyrimidones Monoalkyl phosphates Hydropyrimidines Imidolactams N-substituted imidazoles Oxolanes Vinylogous amides Heteroaromatic compounds Secondary alcohols Dialkyl ethers Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
(3'->5')-dinucleotide phosphorothioate - Purine ribonucleoside monophosphate - Pyrimidine 3'-deoxyribonucleoside - Pentose-5-phosphate - Pentose phosphate - Pyrimidine nucleoside - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Monosaccharide phosphate - Purine - Imidazopyrimidine - Monoalkyl phosphate - Aminopyrimidine - Pyrimidone - Thiophosphate diester - Hydropyrimidine - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Thiophosphoric acid ester - Phosphoric acid ester - Imidolactam - Organic thiophosphoric acid or derivatives - Alkyl phosphate - Pyrimidine - Azole - Vinylogous amide - Imidazole - Heteroaromatic compound - Oxolane - Secondary alcohol - Ether - Dialkyl ether - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Amine - Organic oxygen compound - Primary amine - Organonitrogen compound - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as (3'->5')-dinucleotide phosphorothioates. These are compounds consisting of two ribose moieties connected one 5',3'-phosphomonothioic acid O,O'-diester bond. Each ribose unit is N-linked to a nucleic base or an analogue thereof.
External Descriptors
Not available