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@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H]3O[C@H](C=O)[C@@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@]4(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O
InChIKey
InChIKey=HRWNTTHTJBJVGQ-VGLYMXIGSA-N
Formula
C72H117N3O56
Mass
1920.693
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
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Level 9
N-acylneuraminic acids and derivatives
- Level 10 N-acylneuraminic acids
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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 C-glycosyl compounds O-glycosyl compounds Ketals Dicarboxylic acids and derivatives Pyrans Oxanes Oxolanes Acetamides Secondary carboxylic acid amides Secondary alcohols Polyols Dialkyl ethers Carboxylic acids Oxacyclic compounds Organic oxides Primary alcohols Aldehydes Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Oligosaccharide - N-acylneuraminic acid - Neuraminic acid - N-acyl-alpha-hexosamine - C-glucuronide - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - Ketal - Dicarboxylic acid or derivatives - Pyran - Oxane - Acetamide - Oxolane - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Carboxylic acid - Dialkyl ether - Aldehyde - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Primary 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