Compound Identification
SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)C(OCCNC(=O)CCCS)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
InChIKey
InChIKey=ZXXFRCGFHKCTFM-KYGNJNSRSA-N
Formula
C37H63N3O24S
Mass
965.97
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
Oligosaccharides Neuraminic acids Fatty acyl glycosides N-acyl-alpha-hexosamines C-glucuronides C-glycosyl compounds O-glycosyl compounds Ketals Pyrans Oxanes N-acyl amines Acetamides Secondary alcohols Secondary carboxylic acid amides Polyols Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Alkylthiols Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Oligosaccharide - N-acylneuraminic acid - Neuraminic acid - Fatty acyl glycoside - N-acyl-alpha-hexosamine - C-glucuronide - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - Ketal - Fatty acyl - Fatty amide - N-acyl-amine - Pyran - Oxane - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Acetal - Monocarboxylic acid or derivatives - Polyol - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Primary alcohol - Organopnictogen 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