Compound Identification
SMILES
CC(=O)N[C@@H]1[C@@H](O)C[C@](OC2=CC=C(C=O)C=C2)(O[C@@H]1C(O)C(O)CO)C(O)=O
InChIKey
InChIKey=CPLAVSFKYPPZCV-GMGHOCHUSA-N
Formula
C18H23NO10
Mass
413.379
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 Phenoxyacetic acid derivatives C-glycosyl compounds Benzaldehydes Phenoxy compounds Phenol ethers Benzoyl derivatives Ketals Pyrans Oxanes Acetamides Secondary carboxylic acid amides Secondary alcohols Polyols Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Primary alcohols Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acylneuraminic acid - Neuraminic acid - C-glucuronide - C-glycosyl compound - Glycosyl compound - Phenoxyacetate - Benzaldehyde - Phenoxy compound - Benzoyl - Phenol ether - Ketal - Aryl-aldehyde - Monocyclic benzene moiety - Oxane - Benzenoid - Pyran - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Acetal - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Primary alcohol - Alcohol - 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