Structure Information
Structure

Compound Identification

SMILES

[Ba++].CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)C[O-])C(O)=O.CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)C[O-])C(O)=O

InChIKey

InChIKey=LRUIMFARSYLFLS-BNMLIUAKSA-N

Formula

C22H36BaN2O18

Mass

753.853

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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

Not available

Substituents

N-acylneuraminic acid - Neuraminic acid - C-glucuronide - Glycosyl compound - C-glycosyl compound - Hydroxy acid - Pyran - Oxane - Alpha-hydroxy acid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Hemiacetal - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Alcohol - Organonitrogen compound - Alkoxide - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aliphatic 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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