Compound Identification
SMILES
[Ba++].CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)C[O-])C(O)=O.CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)C[O-])C(O)=O
InChIKey
InChIKey=LRUIMFARSYLFLS-BNMLIUAKSA-N
Formula
C22H36BaN2O18
Mass
753.853
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 Pyrans Oxanes Alpha hydroxy acids and derivatives Acetamides Secondary carboxylic acid amides Secondary alcohols Hemiacetals Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Alkoxides Carbonyl compounds Organic salts Organic zwitterions Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Not available
Substituents
N-acylneuraminic acid - Neuraminic acid - C-glucuronide - Glycosyl compound - C-glycosyl compound - Hydroxy acid - Pyran - Oxane - Alpha-hydroxy acid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Hemiacetal - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Alcohol - Organonitrogen compound - Alkoxide - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen 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
Not available