Compound Identification
SMILES
NC1=NC(=O)C2=C(N1)N([C@@H]1O[C@@H]3COP(O)(=O)O[C@@H]4[C@@H](COP(O)(=O)O[C@H]3[C@H]1O)O[C@H]([C@@H]4O)N1C(=S)NC3=C1NC(N)=NC3=O)C(=S)N2
InChIKey
InChIKey=HXGNOFRRLCLSCU-SDWLGZNCSA-N
Formula
C20H24N10O14P2S2
Mass
754.54
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 Purinethiones Aminopyrimidines and derivatives Pyrimidones Organic phosphoric acids and derivatives N-substituted imidazoles Imidazolethiones Oxolanes Heteroaromatic compounds Vinylogous amides Thioureas Secondary alcohols Polyols Oxacyclic compounds 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 - 6-oxopurine - Hypoxanthine - Monosaccharide phosphate - Purinethione - Imidazopyrimidine - Purine - Aminopyrimidine - Pyrimidone - Imidazole-2-thione - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Pyrimidine - Vinylogous amide - Oxolane - Azole - Heteroaromatic compound - Imidazole - Secondary alcohol - Thiourea - Organoheterocyclic compound - Polyol - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Primary amine - Alcohol - Amine - 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