Compound Identification
SMILES
[Na+].[Na+].CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC[C@H]2O[C@H](OC3=CC=CC=C3[N+]([O-])=O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](COS([O-])(=O)=O)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)(O[C@H]1C(O)C(O)CO)C([O-])=O
InChIKey
InChIKey=FWBPDGHEWXXTQE-GJFQTZKYSA-L
Formula
C31H43N3Na2O24S
Mass
919.72
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 Disaccharide sulfates N-acyl-alpha-hexosamines C-glucuronides O-glycosyl compounds C-glycosyl compounds Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Ketals Oxanes Alkyl sulfates Sulfuric acid monoesters Pyrans Acetamides Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Polyols Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic sodium salts Organonitrogen compounds Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acylneuraminic acid - Neuraminic acid - Disaccharide sulfate - N-acyl-alpha-hexosamine - C-glucuronide - C-glycosyl compound - O-glycosyl compound - Disaccharide - Glycosyl compound - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Ketal - Sulfate-ester - Monocyclic benzene moiety - Sulfuric acid monoester - Pyran - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Oxane - Acetamide - Organic sulfuric acid or derivatives - C-nitro compound - Secondary carboxylic acid amide - Secondary alcohol - Organic nitro compound - Carboxylic acid salt - Carboxamide group - Acetal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Polyol - Organic sodium salt - Organic oxide - Carbonyl group - Organic salt - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organonitrogen compound - Primary alcohol - Organopnictogen compound - Organic cation - 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