Compound Identification
SMILES
CC(=O)N[C@H]1[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O[C@H]3O[C@@H](CO)[C@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O[C@]5(C[C@@H](O)[C@H](NC(C)=O)[C@H](O5)[C@@H](O)[C@@H](O)CO)C(O)=O)[C@@H]4O)[C@@H](O)[C@@H]3NC(C)=O)[C@@H]2O)[C@H](CO)OC1O[C@@H]1[C@H](O)[C@H](CO)O[C@H](O[C@@H]([C@@H](O)CO)[C@@H](O)[C@H](O)C=O)[C@H]1O
InChIKey
InChIKey=WUGAMWNNHSAGPE-KQSUWMGPSA-N
Formula
C51H85N3O39
Mass
1364.223
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
-
Level 6
Sugar amino acids and derivatives
-
Level 7
Pyranoid amino acids and derivatives
-
Level 8
Neuraminic acids and derivatives
-
Level 9
N-acylneuraminic acids and derivatives
- Level 10 N-acylneuraminic acids
-
Level 9
N-acylneuraminic acids and derivatives
-
Level 8
Neuraminic acids and derivatives
-
Level 7
Pyranoid amino acids and derivatives
-
Level 6
Sugar amino acids and derivatives
-
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 - N-acylneuraminic acids and derivatives
Direct Parent
N-acylneuraminic acids
Alternative Parents
Oligosaccharides Neuraminic acids N-acyl-alpha-hexosamines C-glucuronides Alkyl glycosides C-glycosyl compounds O-glycosyl compounds Ketals Beta-hydroxy aldehydes Pyrans Oxanes Alpha-hydroxyaldehydes Acetamides Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Polyols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Oligosaccharide - N-acylneuraminic acid - Neuraminic acid - Fatty acyl glycoside - N-acyl-alpha-hexosamine - C-glucuronide - Alkyl glycoside - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - Ketal - Beta-hydroxy aldehyde - Fatty acyl - Pyran - Oxane - Acetamide - Alpha-hydroxyaldehyde - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Polyol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Acetal - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Primary alcohol - Aldehyde - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Alcohol - Aliphatic 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