Compound Identification
SMILES
CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)CNC3=CC=CC=N3)[C@@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
InChIKey
InChIKey=NDMJFTOMBNOPNX-MHEPVMCTSA-N
Formula
C28H45N3O18
Mass
711.671
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
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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 C-glucuronides Alkyl glycosides C-glycosyl compounds O-glycosyl compounds Secondary alkylarylamines Aminopyridines and derivatives Ketals Pyrans Imidolactams Oxanes Heteroaromatic compounds Acetamides Secondary alcohols Secondary carboxylic acid amides Monocarboxylic acids and derivatives Polyols Carboxylic acids Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Oligosaccharide - N-acylneuraminic acid - Neuraminic acid - Fatty acyl glycoside - C-glucuronide - Alkyl glycoside - C-glycosyl compound - O-glycosyl compound - Glycosyl compound - Aminopyridine - Ketal - Secondary aliphatic/aromatic amine - Oxane - Pyran - Pyridine - Fatty acyl - Imidolactam - Acetamide - Heteroaromatic compound - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Acetal - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Polyol - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Organonitrogen compound - Aromatic 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