Structure Information
Structure

Compound Identification

SMILES

C[N+]1=CN(CC#CC2=CN([C@H]3C[C@H](O)[C@@H](COP(O)(O)=O)O3)C(=O)NC2=O)C=C1

InChIKey

InChIKey=MIGHJCKIXFBERN-BFHYXJOUSA-O

Formula

C16H20N4O8P

Mass

427.329

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Subclass

Pyrimidine deoxyribonucleotides

Intermediate Tree Nodes

Pyrimidine deoxyribonucleoside monophosphates

Direct Parent

Pyrimidine 2'-deoxyribonucleoside monophosphates

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrimidine 2'-deoxyribonucleoside monophosphate - Pyrimidone - Monoalkyl phosphate - Hydropyrimidine - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Heteroaromatic compound - Vinylogous amide - Azole - Oxolane - Imidazole - Secondary alcohol - Urea - Lactam - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.

External Descriptors

Not available

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