Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC[C@H]2O[C@H](OC3=CC=CC=C3[N+]([O-])=O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](COS([O-])(=O)=O)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)(O[C@H]1C(O)C(O)CO)C([O-])=O

InChIKey

InChIKey=FWBPDGHEWXXTQE-GJFQTZKYSA-L

Formula

C31H43N3Na2O24S

Mass

919.72

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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 - Neuraminic acid - Disaccharide sulfate - N-acyl-alpha-hexosamine - C-glucuronide - C-glycosyl compound - O-glycosyl compound - Disaccharide - Glycosyl compound - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Ketal - Sulfate-ester - Monocyclic benzene moiety - Sulfuric acid monoester - Pyran - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Oxane - Acetamide - Organic sulfuric acid or derivatives - C-nitro compound - Secondary carboxylic acid amide - Secondary alcohol - Organic nitro compound - Carboxylic acid salt - Carboxamide group - Acetal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Polyol - Organic sodium salt - Organic oxide - Carbonyl group - Organic salt - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organonitrogen compound - Primary alcohol - Organopnictogen compound - Organic cation - 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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