Structure Information
Structure

Compound Identification

SMILES

OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](C[C@H](O)[C@H]1NC(=O)CO)(OC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O

InChIKey

InChIKey=XZIZFIVNPXSZFF-ZLVOJWICSA-N

Formula

C17H22N2O12

Mass

446.365

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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 - C-glucuronide - C-glycosyl compound - Glycosyl compound - Phenoxyacetate - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Ketal - Monocyclic benzene moiety - Oxane - Pyran - Benzenoid - C-nitro compound - Organic nitro compound - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid - Polyol - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Acetal - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Alcohol - Organonitrogen compound - Primary alcohol - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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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