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\C1=CC=C(OC(C)(C)C)C=C1
InChIKey
InChIKey=XKWJREOYAWBJEJ-RONGSMBOSA-N
Formula
C70H117N3O32
Mass
1512.695
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 Cinnamyl alcohols Phenol ethers Styrenes Phenoxy compounds Alkyl aryl ethers Ketals Oxanes Pyrans N-acyl amines Acetamides Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Polyols Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Oligosaccharide - N-acylneuraminic acid - Neuraminic acid - Fatty acyl glycoside - N-acyl-alpha-hexosamine - C-glucuronide - Alkyl glycoside - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - Cinnamyl alcohol - Phenoxy compound - Styrene - Phenol ether - Alkyl aryl ether - Ketal - Monocyclic benzene moiety - Fatty amide - Fatty acyl - N-acyl-amine - Benzenoid - Oxane - Pyran - Acetamide - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Polyol - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organopnictogen compound - Primary alcohol - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - 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