Compound Identification
SMILES
CC(=O)C1=CC=CC(=C1)C1=NC2=C(NC(N)=NC2=O)N1[C@@H]1O[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)N1C2=C(N=C1C1=CC(=CC=C1)C(C)=O)C(=O)N=C(N)N2
InChIKey
InChIKey=BWPCJXHWLNVHFF-PQZCKYNCSA-N
Formula
C36H36N10O16P2
Mass
926.686
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 Alkyl-phenylketones Glycosylamines Phenylimidazoles 6-oxopurines Hypoxanthines Monosaccharide phosphates Acetophenones Aryl alkyl ketones Benzoyl derivatives Aminopyrimidines and derivatives Pyrimidones N-substituted imidazoles Organic phosphoric acids and derivatives Oxolanes Heteroaromatic compounds Vinylogous amides Secondary alcohols Polyols Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives 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 - Alkyl-phenylketone - Glycosyl compound - N-glycosyl compound - 2-phenylimidazole - 6-oxopurine - Hypoxanthine - Monosaccharide phosphate - Acetophenone - Imidazopyrimidine - Phenylketone - Purine - Aryl alkyl ketone - Aryl ketone - Benzoyl - Pyrimidone - Aminopyrimidine - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Oxolane - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Ketone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organic oxide - Amine - Primary amine - Organonitrogen compound - Organooxygen 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