Structure Information
Structure

Compound Identification

SMILES

[Na].CC1(C)CCC(C)(C)C2=C1C=CC(=C2)C1(OCCO1)C1=CC=C(C=C1)C(O)=O.NC1=NC=NC2=C1N=C(SC1=CC=C(Cl)C=C1)N2[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O

InChIKey

InChIKey=UZSVXUAGPZJHTN-RIXCPZRTSA-N

Formula

C40H43ClN5NaO10PS

Mass

875.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Subclass

Cyclic purine nucleotides

Intermediate Tree Nodes

Not available

Direct Parent

3',5'-cyclic purine nucleotides

Alternative Parents

Molecular Framework

Not available

Substituents

3',5'-cyclic purine ribonucleotide - Pentose phosphate - N-glycosyl compound - Glycosyl compound - Diarylthioether - Monosaccharide phosphate - 6-aminopurine - Tetralin - Imidazopyrimidine - Purine - Benzoic acid - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Chlorobenzene - Aminopyrimidine - Ketal - Halobenzene - Imidolactam - N-substituted imidazole - Monosaccharide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Primary aromatic amine - Aryl chloride - Organic phosphoric acid derivative - Azole - Imidazole - Oxolane - Meta-dioxolane - Heteroaromatic compound - Secondary alcohol - Acetal - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3',5'-cyclic purine nucleotides. These are purine nucleotides in which the oxygen atoms linked to the C3 and C5 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group.

External Descriptors

Not available

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