Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCNC(=O)[C@H]3CC[C@H](CN4C(=O)C=CC4=O)CC3)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=IIRKVOHVOWGUBD-OTPAHJJDSA-N

Formula

C49H78N4O26

Mass

1139.165

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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

Aliphatic heteromonocyclic compounds

Substituents

Oligosaccharide - N-acylneuraminic acid - Neuraminic acid - N-acyl-alpha-hexosamine - Fatty acyl glycoside - C-glucuronide - Alkyl glycoside - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - Maleimide - Ketal - Carboxylic acid imide, n-substituted - Oxane - Fatty acyl - Pyran - Dicarboximide - Acetamide - Carboxylic acid imide - Pyrroline - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Polyol - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organonitrogen 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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