Compound Identification
SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\C(=O)OCC
InChIKey
InChIKey=HPVAFVPXEYJYLR-IXEDIDPMSA-N
Formula
C63H109N3O33
Mass
1436.553
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 N-acyl-alpha-hexosamines C-glucuronides Alkyl glycosides C-glycosyl compounds O-glycosyl compounds Fatty acid esters Ketals Pyrans Dicarboxylic acids and derivatives N-acyl amines Oxanes Acetamides Enoate esters Secondary alcohols Secondary carboxylic acid amides Polyols Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Oligosaccharide - N-acylneuraminic acid - Neuraminic acid - Fatty acyl glycoside - N-acyl-alpha-hexosamine - C-glucuronide - Alkyl glycoside - C-glycosyl compound - O-glycosyl compound - Glycosyl compound - Ketal - Fatty acid ester - N-acyl-amine - Fatty amide - Pyran - Fatty acyl - Dicarboxylic acid or derivatives - Oxane - Acetamide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Acetal - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Alcohol - Primary alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - 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