Structure Information
Structure

Compound Identification

SMILES

CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC2=C(C=C(C=C2)N2C=C(CSC3=NN=C(O3)C3=CC=CO3)N=N2)C(F)F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O

InChIKey

InChIKey=PGJCLCCUZVFINP-UDZFSCRASA-N

Formula

C27H28F2N6O11S

Mass

682.61

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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

N-acylneuraminic acid - Neuraminic acid - C-glucuronide - Phenoxyacetate - Glycosyl compound - C-glycosyl compound - Phenyltriazole - Phenyl-1,2,3-triazole - Phenoxy compound - Phenol ether - Aryl thioether - Ketal - Alkylarylthioether - Pyran - Oxane - Monocyclic benzene moiety - Benzenoid - Oxadiazole - 1,2,3-triazole - Triazole - 1,3,4-oxadiazole - Heteroaromatic compound - Acetamide - Furan - Azole - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Acetal - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Polyol - Alkyl halide - Alkyl fluoride - Alcohol - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Primary alcohol - 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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