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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
- Level 5 Sugar acids and derivatives
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Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
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
Benzothiazines Medium-chain hydroxy acids and derivatives Dialkylarylamines Medium-chain fatty acids Biguanides Chlorobenzenes Beta hydroxy acids and derivatives Hydroxy fatty acids Alpha hydroxy acids and derivatives Aryl chlorides Monosaccharides Secondary ketimines Heteroaromatic compounds 1,2-diols Secondary alcohols Carboximidamides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organic chloride salts Organic oxides Organochlorides Organic cations
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