Structure Information
Structure

Compound Identification

SMILES

CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)OCCCCCCNC(=O)C3=CC(Cl)=C(C(C(O)=O)=C3Cl)C3=C4C=C(Cl)C(O)=C(Cl)C4=NC4=C(Cl)C(O)=C(Cl)C=C34)N3C=NC4=C3N=C(N)NC4=O)N3C=NC4=C3N=C(N)NC4=O)N3C=C(C)C(=O)NC3=O)N3C=C(C)C(=O)NC3=O)N3C=C(C)C(=O)NC3=O)N3C=C(C)C(=O)NC3=O)N3C=C(C)C(=O)NC3=O)N3C=NC4=C3N=C(N)NC4=O)N3C=C(C)C(=O)NC3=O)N3C=NC4=C3N=C(N)NC4=O)O2)C(=O)NC1=O

InChIKey

InChIKey=OVWXODNMSYTYED-LSNOIUEHSA-N

Formula

C137H159Cl6N36O79P11

Mass

4127.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Subclass

Purine deoxyribonucleotides

Intermediate Tree Nodes

Purine deoxyribonucleoside bisphosphates

Direct Parent

Purine deoxyribonucleoside 3',5'-bisphosphates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Polysaccharide phosphate - Polysaccharide - Purine deoxyribonucleoside 3',5'-bisphosphate - Pyrimidine deoxyribonucleoside 3',5'-bisphosphate - Pyrimidine deoxyribonucleoside bisphosphate - Pyrimidine 2'-deoxyribonucleoside monophosphate - Ribonucleoside 3'-phosphate - Phenylquinoline - Acridine - Benzoquinoline - 4-phenylpyridine - 2,5-dichlorobenzoic acid - Chloroquinoline - Haloquinoline - Hypoxanthine - 6-oxopurine - Quinoline - Halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Imidazopyrimidine - Benzamide - Purine - Benzoic acid or derivatives - Benzoic acid - 2-halophenol - 1,4-dichlorobenzene - Benzoyl - 1-carboxy-2-haloaromatic compound - Aminopyrimidine - Chlorobenzene - Halobenzene - Phenol - Dialkyl phosphate - Pyrimidone - Monocyclic benzene moiety - Phosphoric acid ester - Alkyl phosphate - Aryl halide - Pyrimidine - Hydropyrimidine - Pyridine - Benzenoid - N-substituted imidazole - Organic phosphoric acid derivative - Aryl chloride - Heteroaromatic compound - Azole - Vinylogous amide - Oxolane - Vinylogous halide - Imidazole - Amino acid - Amino acid or derivatives - Urea - Carboxamide group - Secondary alcohol - Lactam - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid - Oxacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organohalogen compound - Organochloride - Primary amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as purine deoxyribonucleoside 3',5'-bisphosphates. These are purine ribobucleotides with one phosphate group attached to each of two different hydroxyl groups of the ribose moiety, which lacks a hydroxyl group at position 2.

External Descriptors

Not available

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