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)NCCC1=CC(OC)=C(OC)C=C1Br

InChIKey

InChIKey=VLCAFVVWKHBQQI-BAEGPXRISA-N

Formula

C71H120BrN5O34

Mass

1667.646

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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 - Glycosyl compound - C-glycosyl compound - O-dimethoxybenzene - Dimethoxybenzene - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Halobenzene - Bromobenzene - Ketal - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty amide - N-acyl-amine - Benzenoid - Oxane - Pyran - Acetamide - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Polyol - Acetal - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Primary alcohol - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organohalogen compound - Organobromide - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organic zwitterion - 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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