Compound Identification
SMILES
COC(=O)C(C)NP(=O)(OCC12CO[C@@H]([C@@H](O1)N1C=NC3=C1N=CN=C3N)[C@@H]2N=[N+]=[N-])OC1=CC=CC=C1
InChIKey
InChIKey=KRFAIKGIOYVYHU-HWSUBNFSSA-N
Formula
C21H24N9O7P
Mass
545.453
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Nucleoside and nucleotide analogues
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Nucleoside and nucleotide analogues
Alternative Parents
Alpha amino acid esters Alanine and derivatives 6-aminopurines Phosphoric diester monoamides Phenoxy compounds Aminopyrimidines and derivatives 1,4-dioxanes Organic phosphoramides N-substituted imidazoles Monosaccharides Imidolactams Oxolanes Heteroaromatic compounds Methyl esters Azo compounds Azo imides Dialkyl ethers Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Primary amines Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Alanine or derivatives - 6-aminopurine - Alpha-amino acid or derivatives - Imidazopyrimidine - Purine - Phenoxy compound - Phosphoric diester monoamide - Aminopyrimidine - Para-dioxane - Monocyclic benzene moiety - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Benzenoid - Organic phosphoric acid amide - Imidolactam - Methyl ester - Azole - Oxolane - Imidazole - Heteroaromatic compound - Azo imide - Azo compound - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Carbonyl group - Amine - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others.
External Descriptors
Not available