Compound Identification
SMILES
CCO[C@H]1O[C@H](COCC2=CC=C(Br)C=C2)[C@@H](O)[C@H](OCC(O)=O)[C@H]1NC(=O)CCN=C(N)N
InChIKey
InChIKey=SHGXJZDGWVCUAG-CBFGRJNTSA-N
Formula
C21H31BrN4O8
Mass
547.403
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
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Level 5
Aminosaccharides
- Level 6 N-acyl-alpha-hexosamines
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Level 5
Aminosaccharides
-
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
Aminosaccharides
Direct Parent
N-acyl-alpha-hexosamines
Alternative Parents
O-glycosyl compounds Benzylethers Bromobenzenes Aryl bromides Oxanes Monosaccharides Secondary carboxylic acid amides Secondary alcohols Guanidines Acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Dialkyl ethers Organopnictogen compounds Organobromides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha-hexosamine - Glycosyl compound - O-glycosyl compound - Benzylether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Secondary alcohol - Oxacycle - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Acetal - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group.
External Descriptors
Not available