Structure Information
Structure

Compound Identification

SMILES

[Cl-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.CN(C)C1=CC2=C(C=C1)N=C1C=CC(C=C1S2)=[N+](C)C.N\C(NC1=CC=C(Cl)C=C1)=N/C(N)=NCCCCCCN=C(N)\N=C(/N)NC1=CC=C(Cl)C=C1

InChIKey

InChIKey=VKCUHLQPUMVZHP-ADZFUJRMSA-M

Formula

C50H72Cl3N13O14S

Mass

1217.61

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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

Not available

Direct Parent

Sugar acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Gluconic_acid - Benzothiazine - Medium-chain hydroxy acid - Medium-chain fatty acid - Dialkylarylamine - Hydroxy fatty acid - Halobenzene - Chlorobenzene - Biguanide - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Benzenoid - Aryl chloride - Alpha-hydroxy acid - Aryl halide - Fatty acid - Fatty acyl - Monocyclic benzene moiety - Secondary ketimine - Heteroaromatic compound - Secondary alcohol - Guanidine - 1,2-diol - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Polyol - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic salt - Organic nitrogen compound - Primary alcohol - Organic chloride salt - Imine - Organonitrogen compound - Alcohol - Organochloride - Organohalogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.

External Descriptors

Not available

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