Compound Identification
SMILES
CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@@H](CO)O[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O
InChIKey
InChIKey=ZFOIZUZRBOTSMP-WVBXSOJNSA-N
Formula
C33H53N3O25
Mass
891.783
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 C-glycosyl compounds Tricarboxylic acids and derivatives Ketals Pyrans Alpha hydroxy acids and derivatives Oxanes Acetamides Secondary carboxylic acid amides Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Carboxylic acids Primary alcohols Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
N-acylneuraminic acid - Neuraminic acid - C-glucuronide - C-glycosyl compound - Glycosyl compound - Tricarboxylic acid or derivatives - Ketal - Alpha-hydroxy acid - Hydroxy acid - Oxane - Pyran - Acetamide - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Hemiacetal - Acetal - Organoheterocyclic compound - Polyol - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Primary alcohol - Organic oxide - Alcohol - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic 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
CHEBI:72328 : alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-Neup5Ac