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Structure Information
Structure

Compound Identification

SMILES

CC1=CN([C@H]2C[C@H](SC(=O)CC3=CC=C(O)C=C3)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O

InChIKey

InChIKey=IPTMHEJWIRMNDE-QLFBSQMISA-N

Formula

C18H21N2O9PS

Mass

472.4

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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 heteromonocyclic compounds

Substituents

2',3'-dideoxy-3'-thionucleoside monophosphate - 2',3'-dideoxy-3'-thionucleoside - Pyrimidone - Monoalkyl phosphate - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Organic phosphoric acid derivative - Phosphoric acid ester - Benzenoid - Alkyl phosphate - Monocyclic benzene moiety - Pyrimidine - Hydropyrimidine - Heteroaromatic compound - Oxolane - Vinylogous amide - Urea - Carbothioic s-ester - Thiocarboxylic acid ester - Lactam - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic 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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