Structure Information
Structure

Compound Identification

SMILES

O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(N[N+]#N)C(=O)N=C1[O-]

InChIKey

InChIKey=MQQRGLGELBOPDL-RRKCRQDMSA-N

Formula

C9H12N5O8P

Mass

349.196

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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 - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Oxolane - Heteroaromatic compound - Vinylogous amide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - Organic nitrogen compound - 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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