Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CNC(=O)COCCOCC(=O)NC3=CC=C(CNC4=C5C(=CC(=C4)S(O)(=O)=O)C=C(C=C5S(O)(=O)=O)S(O)(=O)=O)C=C3)OCC[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]2OC(=O)C2=CC=CC=C2)[C@@H](O)[C@H](O)[C@@H]1O

InChIKey

InChIKey=LONORJRCYNXXMH-RJZOGBQSSA-N

Formula

C59H76N4O34S3

Mass

1481.43

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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 heteropolycyclic compounds

Substituents

Oligosaccharide - N-acylneuraminic acid - Neuraminic acid - C-glucuronide - Naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - Glycosyl compound - O-glycosyl compound - C-glycosyl compound - Benzoate ester - Naphthalene - Anilide - Benzoic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzoyl - N-arylamide - Phenylmethylamine - Benzylamine - Aralkylamine - Ketal - Secondary aliphatic/aromatic amine - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Oxane - Pyran - Organosulfonic acid - Sulfonyl - Organosulfonic acid or derivatives - Acetamide - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Amino acid - Secondary alcohol - Secondary carboxylic acid amide - Acetal - Oxacycle - Organoheterocyclic compound - Secondary amine - Polyol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Organic nitrogen compound - Amine - Primary alcohol - Carbonyl group - Organosulfur compound - Organopnictogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic 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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