Structure Information
Structure

Compound Identification

SMILES

CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(=O)N1C(=O)C2=CC=CC=C2S1(=O)=O

InChIKey

InChIKey=XFYOBKQBBWVGMJ-ULPPIJFESA-N

Formula

C18H22N2O11S

Mass

474.44

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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-glycosyl compound - Glycosyl compound - 1,2-benzothiazole - Benzenoid - Pyran - Oxane - Dicarboximide - Acetamide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - 1,2-diol - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Hemiacetal - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Polyol - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxide - Primary alcohol - Organonitrogen compound - Hydrocarbon derivative - 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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