Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]1(O)O[C@@H]([C@H](OCC2=CC=CC=C2)[C@H](COCC2=CC=CC=C2)O[C@]2(O[C@@H]([C@@H](OCC3=CC=CC=C3)[C@H](COCC3=CC=CC=C3)OCC3=CC=CC=C3)[C@H](NC(C)=O)[C@@H](OCC3=CC=CC=C3)C2SC2=CC=CC=C2)C(=O)OC)[C@@H](NC(C)=O)[C@H](OCC2=CC=CC=C2)C1SC1=CC=CC=C1

InChIKey

InChIKey=IIDDTNNRGYQFRF-SLYFHPQGSA-N

Formula

C85H90N2O17S2

Mass

1475.77

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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

Direct Parent

N-acylneuraminic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acylneuraminic acid or derivatives - C-glucuronide - C-glycosyl compound - Glycosyl compound - Benzylether - Aryl thioether - Thiophenol ether - Ketal - Alkylarylthioether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Pyran - Benzenoid - Methyl ester - Acetamide - Secondary carboxylic acid amide - Hemiacetal - Carboxamide group - Carboxylic acid ester - Thioether - Organoheterocyclic compound - Sulfenyl compound - Acetal - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acylneuraminic acids and derivatives. These are neuraminic acids (or derivatives thereof) carrying an N-acyl substituent.

External Descriptors

Not available

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