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
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 Phenoxazines Diarylethers Hydroquinolines Dialkylarylamines Aralkylamines Pyrimidones Monoalkyl phosphates Benzenoids Hydropyrimidines N-acyl amines Vinylogous amides Oxolanes Heteroaromatic compounds Ureas Amino acids and derivatives Secondary carboxylic acid amides Lactams Dialkylthioethers Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Organic salts Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
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