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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Nucleosides, nucleotides, and analogues
-
Class
Purine nucleotides
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Subclass
Cyclic purine nucleotides
- Level 5 3',5'-cyclic purine nucleotides
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Subclass
Cyclic purine nucleotides
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Class
Purine nucleotides
-
Superclass
Nucleosides, nucleotides, and analogues
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
Pentose phosphates Glycosylamines Nitrophenyl ethers Dimethoxybenzenes 6-oxopurines Hypoxanthines Monosaccharide phosphates Methoxyanilines Anisoles Phenoxy compounds Nitroaromatic compounds Pyrimidones Aminopyrimidines and derivatives Alkyl aryl ethers Aryl bromides Phosphate esters N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Oxolanes Secondary alcohols Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organobromides Organic zwitterions Hydrocarbon derivatives Primary amines Organic salts Organic oxides
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