Compound Identification
SMILES
OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C@H]1NC(=O)CNC(=O)CNC(=O)OCC1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=SDGPILVSJKNWLG-SQTBOHLQSA-N
Formula
C21H29N3O12
Mass
515.472
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
Dipeptides Neuraminic acids C-glucuronides N-acyl-alpha amino acids and derivatives Alpha amino acid amides C-glycosyl compounds Benzyloxycarbonyls Pyrans Alpha hydroxy acids and derivatives Oxanes Carbamate esters Secondary carboxylic acid amides Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Primary alcohols Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acylneuraminic acid - Alpha-dipeptide - Alpha peptide - Neuraminic acid - C-glucuronide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - C-glycosyl compound - Glycosyl compound - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Benzenoid - Alpha-hydroxy acid - Monocyclic benzene moiety - Pyran - Hydroxy acid - Oxane - Carbamic acid ester - Hemiacetal - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Primary alcohol - Organic oxide - Alcohol - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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