Compound Identification
SMILES
O[C@H]1[C@@H](O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]12)O[C@H]([C@@H]3O)N1C=NC2=C1NC=NC2=O)N1C=NC2=C1NC=NC2=O
InChIKey
InChIKey=VFTRASQVWRBMKD-XPWFQUROSA-N
Formula
C20H22N8O14P2
Mass
660.386
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 6-oxopurines Hypoxanthines Monosaccharide phosphates Pyrimidones N-substituted imidazoles Organic phosphoric acids and derivatives Vinylogous amides Oxolanes Heteroaromatic compounds Secondary alcohols Azacyclic compounds Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
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 - Monosaccharide - Pyrimidine - N-substituted imidazole - Organic phosphoric acid derivative - Heteroaromatic compound - Azole - Imidazole - Vinylogous amide - Oxolane - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Polyol - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alcohol - 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