Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C(CO[P@@]2(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O2)N2C(Br)=NC3=C2NC(N)=NC3=O)=C1)[N+]([O-])=O

InChIKey

InChIKey=SBLQQMJIIHGNQB-DWNFKFEPSA-N

Formula

C19H20BrN6O11P

Mass

619.278

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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

Aromatic heteropolycyclic compounds

Substituents

3',5'-cyclic purine ribonucleotide - Pentose phosphate - Nitrophenyl ether - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Monosaccharide phosphate - Purinone - O-dimethoxybenzene - Dimethoxybenzene - Imidazopyrimidine - Nitrobenzene - Purine - Methoxyaniline - Phenoxy compound - Anisole - Nitroaromatic compound - Phenol ether - Methoxybenzene - Aminopyrimidine - Pyrimidone - Alkyl aryl ether - Benzenoid - Aryl bromide - Aryl halide - Pyrimidine - Monocyclic benzene moiety - Monosaccharide - N-substituted imidazole - Phosphoric acid ester - Organic phosphoric acid derivative - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Oxolane - Secondary alcohol - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Oxacycle - Alcohol - Organonitrogen compound - Amine - Organooxygen compound - Organobromide - Organic zwitterion - Organic oxygen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Primary amine - 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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