Compound Identification
SMILES
COC(=O)C1(CC(O)C(NC(C)=O)C(O1)C(O)C(O)CO)OC1=CNC2=C1C(Cl)=C(Br)C=C2
InChIKey
InChIKey=VATTYSQGTFSYRU-UHFFFAOYSA-N
Formula
C20H24BrClN2O9
Mass
551.77
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
-
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
Sugar acids and derivatives - Sugar amino acids and derivatives - Pyranoid amino acids and derivatives - Neuraminic acids and derivatives
Direct Parent
N-acylneuraminic acids and derivatives
Alternative Parents
C-glucuronides C-glycosyl compounds Indoles Ketals Substituted pyrroles Pyrans Aryl bromides Oxanes Aryl chlorides Benzenoids Acetamides Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Secondary alcohols Polyols Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organochlorides Organonitrogen compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acylneuraminic acid or derivatives - C-glucuronide - C-glycosyl compound - Glycosyl compound - Indole - Indole or derivatives - Ketal - Aryl bromide - Aryl chloride - Aryl halide - Oxane - Pyran - Substituted pyrrole - Benzenoid - Pyrrole - Acetamide - Methyl ester - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Azacycle - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Alcohol - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organopnictogen compound - Organobromide - Organochloride - Organic nitrogen compound - Organonitrogen compound - Primary alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acylneuraminic acids and derivatives. These are neuraminic acids (or derivatives thereof) carrying an N-acyl substituent.
External Descriptors
Not available