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Structure Information
Structure

Compound Identification

SMILES

CCN1C2=CC3=C(C=C2C(C)CC1(C)C)N=C1C=C2CCC[N+](CCCC(=O)NCCS[C@H]4C[C@@H](O[C@@H]4COP(O)(=O)O[P+](O)([O-])O[P+](O)(O)[O-])N4C=C(C)C(=O)NC4=O)=C2C=C1O3

InChIKey

InChIKey=YWXPZTWPGSRDHB-ATNNIQFVSA-O

Formula

C39H54N6O15P3S

Mass

971.87

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

2',3'-dideoxy-3'-thionucleoside monophosphates

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

2',3'-dideoxy-3'-thionucleoside monophosphates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2',3'-dideoxy-3'-thionucleoside monophosphate - 2',3'-dideoxy-3'-thionucleoside - Phenoxazine - Diaryl ether - Tetrahydroquinoline - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyrimidone - Monoalkyl phosphate - Aralkylamine - Fatty amide - Hydropyrimidine - N-acyl-amine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Benzenoid - Fatty acyl - Oxolane - Heteroaromatic compound - Vinylogous amide - Lactam - Amino acid or derivatives - Urea - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Thioether - Dialkylthioether - Ether - Oxacycle - Sulfenyl compound - Azacycle - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2',3'-dideoxy-3'-thionucleoside monophosphates. These are 2',3'-deoxyribonucleoside derivatives, where the ribose unit is thio-substituted at the 3'-position, and at the 5'-position by a monophosphate group. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.

External Descriptors

Not available

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