Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](OC3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)C(O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C/C1=CC(=CC(Cl)=C1F)C(F)(F)F

InChIKey

InChIKey=VVBOSENKOJTBNG-MYYDBLCFSA-N

Formula

C67H106ClF4N3O31

Mass

1561.02

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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

Oligosaccharide - N-acylneuraminic acid - Neuraminic acid - Fatty acyl glycoside - N-acyl-alpha-hexosamine - C-glucuronide - Alkyl glycoside - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - Trifluoromethylbenzene - Cinnamyl alcohol - Styrene - Ketal - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Pyran - N-acyl-amine - Fatty acyl - Benzenoid - Oxane - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Acetal - Monocarboxylic acid or derivatives - Polyol - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Primary alcohol - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Alkyl halide - Alcohol - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organic nitrogen compound - 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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