Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1(CC(O)C(NC(C)=O)C(O1)C(O)C(O)CO)OC1=CNC2=C1C(Cl)=C(Br)C=C2

InChIKey

InChIKey=VATTYSQGTFSYRU-UHFFFAOYSA-N

Formula

C20H24BrClN2O9

Mass

551.77

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbohydrates and carbohydrate conjugates

Intermediate Tree Nodes

Sugar acids and derivatives - Sugar amino acids and derivatives - Pyranoid amino acids and derivatives - Neuraminic acids and derivatives

Direct Parent

N-acylneuraminic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acylneuraminic acid or derivatives - C-glucuronide - C-glycosyl compound - Glycosyl compound - Indole - Indole or derivatives - Ketal - Aryl bromide - Aryl chloride - Aryl halide - Oxane - Pyran - Substituted pyrrole - Benzenoid - Pyrrole - Acetamide - Methyl ester - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Azacycle - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Alcohol - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organopnictogen compound - Organobromide - Organochloride - Organic nitrogen compound - Organonitrogen compound - Primary alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acylneuraminic acids and derivatives. These are neuraminic acids (or derivatives thereof) carrying an N-acyl substituent.

External Descriptors

Not available

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