Compound Identification
SMILES
[Na+].CC(=O)N[C@@H]1[C@@H](O)C[C@](OCC2=CC(OC3=CC=CC=C3)=CC=C2)(O[C@H]1[C@@H](O)[C@H](O)CO)C([O-])=O
InChIKey
InChIKey=ZUYHAWZCMCHSFB-MWGHIRRKSA-M
Formula
C24H28NNaO10
Mass
513.475
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
Neuraminic acids C-glucuronides Diphenylethers C-glycosyl compounds Diarylethers Phenol ethers Phenoxy compounds Ketals Oxanes Pyrans Acetamides Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Polyols Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Primary alcohols Organopnictogen compounds Carbonyl compounds Organic oxides Organic sodium salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acylneuraminic acid - Neuraminic acid - C-glucuronide - Diphenylether - Glycosyl compound - C-glycosyl compound - Diaryl ether - Phenoxy compound - Phenol ether - Ketal - Monocyclic benzene moiety - Oxane - Pyran - Benzenoid - Acetamide - Carboxylic acid salt - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Polyol - Organic alkali metal salt - Acetal - Oxacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Primary alcohol - Organic zwitterion - Organic salt - Organic sodium salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - 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