Compound Identification
SMILES
CC1=CN([C@H]2C[C@H](SCC(=O)C3=CC=C(O)C=C3)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O
InChIKey
InChIKey=ZPUIOXGYMCCARA-OWCLPIDISA-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 Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Pyrimidones Monoalkyl phosphates Hydropyrimidines Vinylogous amides Oxolanes Heteroaromatic compounds Ureas Lactams Sulfenyl compounds Dialkylthioethers Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2',3'-dideoxy-3'-thionucleoside monophosphate - 2',3'-dideoxy-3'-thionucleoside - Alkyl-phenylketone - Phenylketone - Aryl ketone - Benzoyl - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Monoalkyl phosphate - Phenol - Pyrimidone - Pyrimidine - Phosphoric acid ester - Alkyl phosphate - Organic phosphoric acid derivative - Hydropyrimidine - Monocyclic benzene moiety - Benzenoid - Oxolane - Heteroaromatic compound - Vinylogous amide - Urea - Ketone - Lactam - Dialkylthioether - Sulfenyl compound - Thioether - Organoheterocyclic compound - Oxacycle - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - 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