Compound Identification
SMILES
N[C@@H](CS)C(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N
InChIKey
InChIKey=CHQCHJWWSCSGOJ-MACXSXHHSA-M
Formula
C13H18N6O8PS
Mass
449.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Nucleosides, nucleotides, and analogues
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Class
Purine nucleotides
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Subclass
Purine ribonucleotides
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Level 5
Purine ribonucleoside monophosphates
- Level 6 5'-acylphosphoadenosines
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Level 5
Purine ribonucleoside monophosphates
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Subclass
Purine ribonucleotides
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Class
Purine nucleotides
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Superclass
Nucleosides, nucleotides, and analogues
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
Pentose phosphates Cysteine and derivatives Glycosylamines 6-aminopurines Monosaccharide phosphates Phosphoethanolamines Acyl phosphates Aminopyrimidines and derivatives N-substituted imidazoles Alkyl phosphates Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Alkylthiols Azacyclic compounds Monoalkylamines Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5'-acylphosphoadenosine - Pentose phosphate - Pentose-5-phosphate - Cysteine or derivatives - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - 6-aminopurine - Alpha-amino acid or derivatives - Pentose monosaccharide - Imidazopyrimidine - Purine - Phosphoethanolamine - Acyl phosphate - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Imidolactam - Phosphoric acid ester - Alkyl phosphate - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Oxolane - Amino acid or derivatives - 1,2-diol - Secondary alcohol - Alkylthiol - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Alcohol - Organic oxide - Organic oxygen compound - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen 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
Not available