Compound Identification
SMILES
COC(=O)CCCCCCCCO[C@@H]1OC(CO)[C@H](OC2OC[C@@H](O)C(O)C2O)C(OC2OC(CO)[C@@H](O)C(O[C@@]3(CC(O)[C@@H](NC(C)=O)C(O3)C(O)C(O)CO)C(O)=O)C2O)C1NC(=O)C1=CC(OC)=C(O)C=C1
InChIKey
InChIKey=WLYFKRGVMMCBOW-RDKSKCIXSA-N
Formula
C46H72N2O27
Mass
1085.069
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 Methoxyphenols Benzamides Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Fatty acid methyl esters Ketals 1-hydroxy-2-unsubstituted benzenoids Oxanes Dicarboxylic acids and derivatives Pyrans Acetamides Methyl esters Secondary alcohols Secondary carboxylic acid amides Oxacyclic compounds Carboxylic acids Polyols Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Oligosaccharide - N-acylneuraminic acid - Neuraminic acid - N-acyl-alpha-hexosamine - Fatty acyl glycoside - C-glucuronide - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - C-glycosyl compound - Methoxyphenol - Benzoic acid or derivatives - Benzamide - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Benzoyl - Fatty acid ester - Fatty acid methyl ester - Alkyl aryl ether - Ketal - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Pyran - Oxane - Methyl ester - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Polyol - Acetal - Oxacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Primary alcohol - Alcohol - Organic oxide - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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