Compound Identification
SMILES
NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H]2COP([O-])(=O)OC3[C@H](COP([O-])(=O)O[C@@H]2C1O)O[C@H]([C@H]3OP(O)O)N1C=NC2=C1NC(N)=NC2=O
InChIKey
InChIKey=FAMLKHZUVXIIPS-KGPXIDTOSA-L
Formula
C20H23N10O16P3
Mass
752.38
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 6-oxopurines Monosaccharide phosphates Pyrimidones Aminopyrimidines and derivatives N-substituted imidazoles Organic phosphoric acids and derivatives Heteroaromatic compounds Oxolanes Organic phosphites Vinylogous amides Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
(3'->5')-cyclic dinucleotide or analogue - Purine ribonucleoside 3',5'-bisphosphate - Purine ribonucleoside bisphosphate - Pentose-5-phosphate - Pentose phosphate - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Monosaccharide phosphate - Imidazopyrimidine - Purine - Aminopyrimidine - Pyrimidone - Pyrimidine - Organic phosphoric acid derivative - N-substituted imidazole - Monosaccharide - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Organic phosphite - Oxolane - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxygen compound - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Organic anion - 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