Compound Identification
SMILES
NC1=NC(=O)C2=C(N1)N(C=N2)C1O[C@@H]2COP(O)(=O)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=PKFDLKSEZWEFGL-IJKKDIJDSA-N
Formula
C20H24N10O14P2
Mass
690.416
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
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
Purine ribonucleoside 3',5'-bisphosphates Pentose phosphates Glycosylamines Hypoxanthines Monosaccharide phosphates 6-oxopurines Aminopyrimidines and derivatives Pyrimidones Organic phosphoric acids and derivatives N-substituted imidazoles Oxolanes Heteroaromatic compounds Vinylogous amides Secondary alcohols Oxacyclic compounds Polyols Azacyclic compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
(3'->5')-cyclic dinucleotide or analogue - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Hypoxanthine - Monosaccharide phosphate - 6-oxopurine - Imidazopyrimidine - Purine - Pyrimidone - Aminopyrimidine - Pyrimidine - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Heteroaromatic compound - Azole - Imidazole - Vinylogous amide - Oxolane - Secondary alcohol - Polyol - Oxacycle - Azacycle - Organoheterocyclic compound - Alcohol - Primary amine - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen 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