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
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
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
2',3'-dideoxy-3'-thionucleosides 1-hydroxy-2-unsubstituted benzenoids Pyrimidones Monoalkyl phosphates Benzene and substituted derivatives Hydropyrimidines Vinylogous amides Oxolanes Heteroaromatic compounds Ureas Thioesters Carbothioic S-esters Lactams Oxacyclic compounds Carboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
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