Structure Information
Structure

Compound Identification

SMILES

NC(CS)C(=O)OP([O-])(=O)OCC1OC(C(O)C1O)N1C=NC2=C1N=CN=C2N

InChIKey

InChIKey=CHQCHJWWSCSGOJ-UHFFFAOYSA-M

Formula

C13H18N6O8PS

Mass

449.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Subclass

Purine ribonucleotides

Intermediate Tree Nodes

Purine ribonucleoside monophosphates

Direct Parent

5'-acylphosphoadenosines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5'-acylphosphoadenosine - Pentose phosphate - Pentose-5-phosphate - Cysteine or derivatives - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Alpha-amino acid or derivatives - Monosaccharide phosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Phosphoethanolamine - Acyl phosphate - Aminopyrimidine - Monosaccharide - Imidolactam - Phosphoric acid ester - N-substituted imidazole - Organic phosphoric acid derivative - Pyrimidine - Alkyl phosphate - Imidazole - Heteroaromatic compound - Azole - Tetrahydrofuran - 1,2-diol - Amino acid or derivatives - Secondary alcohol - Carboxylic acid salt - Organoheterocyclic compound - Azacycle - Alkylthiol - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Organic salt - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 5'-acylphosphoadenosines. These are ribonucleoside derivatives containing an adenoside moiety, where the phosphate group is acylated.

External Descriptors

META CYC (CPD-12085) : a small molecule

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