Structure Information
Structure

Compound Identification

SMILES

OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1NC(=O)CNC(=O)CNC(=O)OCC1=CC=CC=C1)C(O)=O

InChIKey

InChIKey=SDGPILVSJKNWLG-SQTBOHLQSA-N

Formula

C21H29N3O12

Mass

515.472

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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

N-acylneuraminic acid - Alpha-dipeptide - Alpha peptide - Neuraminic acid - C-glucuronide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - C-glycosyl compound - Glycosyl compound - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Benzenoid - Alpha-hydroxy acid - Monocyclic benzene moiety - Pyran - Hydroxy acid - Oxane - Carbamic acid ester - Hemiacetal - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Primary alcohol - Organic oxide - Alcohol - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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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