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
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 Alkyl phosphates N-substituted imidazoles Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary alcohols 1,2-diols Carboxylic acid salts Oxacyclic compounds Alkylthiols Azacyclic compounds Monocarboxylic acids and derivatives Organic salts Organopnictogen compounds Carbonyl compounds Organic oxides Monoalkylamines 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 - 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