Compound Identification
SMILES
CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCC2=CN(C[C@@H](O)[C@@H](O)[C@@H]3O[C@@](C[C@H](O)[C@H]3NC(C)=O)(OCC3=CN(C[C@@H](O)[C@@H](O)[C@@H]4O[C@@](C[C@H](O)[C@H]4N)(OCC4=CN(C[C@@H](O)[C@@H](O)[C@@H]5O[C@@](C[C@H](O)[C@H]5NC(C)=O)(OCC#C)C(O)=O)N=N4)C(O)=O)N=N3)C(O)=O)N=N2)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
InChIKey
InChIKey=SNZIBIDARPZUKF-COSLAANHSA-N
Formula
C54H79N13O32
Mass
1422.285
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
Neuraminic acids Aminoglycosides C-glucuronides Tetracarboxylic acids and derivatives Delta amino acids and derivatives C-glycosyl compounds Ketals Oxanes Pyrans 1,3-aminoalcohols Acetamides Triazoles Heteroaromatic compounds Amino acids Secondary carboxylic acid amides 1,2-aminoalcohols Secondary alcohols Polyols Oxacyclic compounds Acetylides Azacyclic compounds Carboxylic acids Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acylneuraminic acid - Aminoglycoside core - Neuraminic acid - C-glucuronide - Delta amino acid or derivatives - Tetracarboxylic acid or derivatives - Glycosyl compound - C-glycosyl compound - Amino saccharide - Ketal - Pyran - Oxane - 1,3-aminoalcohol - Azole - Heteroaromatic compound - Acetamide - 1,2,3-triazole - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Amino acid or derivatives - 1,2-aminoalcohol - Acetal - Acetylide - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Polyol - Carbonyl group - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic oxide - Primary amine - Primary alcohol - Primary aliphatic amine - 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