Structure Information
Structure

Compound Identification

SMILES

CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OC3=CC=C(C=C3)[N+]([O-])=O)O2)C(=O)NC1=O

InChIKey

InChIKey=RWOAVOYBVRQNIZ-BFHYXJOUSA-N

Formula

C16H18N3O10P

Mass

443.305

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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 - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Monoalkyl phosphate - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Alkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Benzenoid - Tetrahydrofuran - Heteroaromatic compound - Vinylogous amide - Secondary alcohol - Organic nitro compound - C-nitro compound - Urea - Lactam - Organic oxoazanium - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Alcohol - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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

CHEBI:74144 : C-nitro compound - aryl phosphate - pyrimidine 2'-deoxyribonucleoside 5'-monophosphate

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