Structure Information
Structure

Compound Identification

SMILES

COP([O-])(=O)OCC1OC(CC1O)N1C=C(CN2C(CNC3=CC=C(C=C3)C(=O)NC(CCC([O-])=O)C([O-])=O)CCC3=C2C(=O)N=C(N)N3)C(=O)NC1=O

InChIKey

InChIKey=YYLMJAXJQNLSCC-UHFFFAOYSA-K

Formula

C31H36N8O14P

Mass

775.646

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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 heteropolycyclic compounds

Substituents

Pyrimidine 2'-deoxyribonucleoside monophosphate - Glutamic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Pyridopyrimidine - Benzamide - Benzoic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Phenylalkylamine - Benzoyl - Aralkylamine - Pyrimidone - Secondary aliphatic/aromatic amine - Aminopyrimidine - Dialkyl phosphate - Monocyclic benzene moiety - Organic phosphoric acid derivative - Pyridine - Phosphoric acid ester - Pyrimidine - Hydropyrimidine - Alkyl phosphate - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Vinylogous amide - Oxolane - Secondary alcohol - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid salt - Urea - Lactam - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid - Secondary amine - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Primary amine - Alcohol - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic anion - Aromatic heteropolycyclic 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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