Compound Identification
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1OC(COP(O)(=O)OC(=O)C2CS\C(N2)=C2/SC3=CC(=O)C=CC3=N2)[C@@H](O)[C@H]1O
InChIKey
InChIKey=PASQPRDQIXHMST-RUXKSGDKSA-N
Formula
C21H20N7O9PS2
Mass
609.52
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 Glycosylamines Alpha amino acids and derivatives Monosaccharide phosphates 6-aminopurines Aminopyrimidines and derivatives Monoalkyl phosphates Acyl phosphates Imidolactams N-substituted imidazoles Thiazoles Heteroaromatic compounds Oxolanes Thiazolidines 1,2-diols Secondary alcohols Cyclic ketones Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5'-acylphosphoadenosine - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Alpha-amino acid or derivatives - Monosaccharide phosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Acyl phosphate - Aminopyrimidine - Monoalkyl phosphate - Monosaccharide - N-substituted imidazole - Pyrimidine - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Imidolactam - Heteroaromatic compound - Imidazole - Thiazole - Azole - Oxolane - Thiazolidine - Ketone - Amino acid or derivatives - Secondary alcohol - Cyclic ketone - 1,2-diol - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Primary amine - Organic oxide - Hydrocarbon derivative - Alcohol - Organic oxygen compound - 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