Structure Information
Structure

Compound Identification

SMILES

[NH4+].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](O[C@@]3(C[C@H](O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\C(=O)NC1=C(OC2=C(SC=C2)C(=O)OC)C=CC(=C1)C(F)(F)F

InChIKey

InChIKey=IECDEQRLQJQLRO-BZZINZHHSA-N

Formula

C74H116F3N5O35S

Mass

1724.8

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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 - N-acyl-alpha-hexosamine - Fatty acyl glycoside - C-glucuronide - Alkyl glycoside - O-glycosyl compound - C-glycosyl compound - Glycosyl compound - Diaryl ether - Trifluoromethylbenzene - Anilide - Phenoxy compound - Phenol ether - Thiophene carboxylic acid or derivatives - N-arylamide - Ketal - Benzenoid - Fatty acyl - N-acyl-amine - Fatty amide - Oxane - Pyran - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Thiophene - Acetamide - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid salt - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Ether - Polyol - Alkyl halide - Organic salt - Organic nitrogen compound - Alkyl fluoride - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Primary alcohol - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organohalogen 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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