Structure Information
Structure

Compound Identification

SMILES

CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](COCC3=CC=CC=C3)O[C@@H](O[C@@H]3[C@@H](COCC4=CC=CC=C4)O[C@@H](OCCCN=[N+]=[N-])[C@H](OCC4=CC=CC=C4)[C@H]3OCC3=CC=CC=C3)[C@@H]2OCC2=CC=CC=C2)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O

InChIKey

InChIKey=LYCGZXZAAXYXHE-KYSRDFDJSA-N

Formula

C61H74N4O19

Mass

1167.272

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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 - N-acylneuraminic acids and derivatives

Direct Parent

N-acylneuraminic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Oligosaccharide - N-acylneuraminic acid - Neuraminic acid - C-glucuronide - Glycosyl compound - O-glycosyl compound - C-glycosyl compound - Benzylether - Ketal - Monocyclic benzene moiety - Oxane - Benzenoid - Pyran - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Azo imide - Azo compound - Secondary alcohol - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Acetal - Ether - Dialkyl ether - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Primary alcohol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Aromatic heteromonocyclic compound

Description

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

External Descriptors

Not available

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