Compound Identification
SMILES
COC(=O)[C@]1(O)O[C@@H]([C@H](OCC2=CC=CC=C2)[C@H](COCC2=CC=CC=C2)O[C@]2(O[C@@H]([C@@H](OCC3=CC=CC=C3)[C@H](COCC3=CC=CC=C3)OCC3=CC=CC=C3)[C@H](NC(C)=O)[C@@H](OCC3=CC=CC=C3)C2SC2=CC=CC=C2)C(=O)OC)[C@@H](NC(C)=O)[C@H](OCC2=CC=CC=C2)C1SC1=CC=CC=C1
InChIKey
InChIKey=IIDDTNNRGYQFRF-SLYFHPQGSA-N
Formula
C85H90N2O17S2
Mass
1475.77
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbohydrates and carbohydrate conjugates
- Level 5 Sugar acids and derivatives
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Subclass
Carbohydrates and carbohydrate conjugates
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Class
Organooxygen compounds
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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
Direct Parent
N-acylneuraminic acids and derivatives
Alternative Parents
C-glucuronides C-glycosyl compounds Benzylethers Thiophenol ethers Alkylarylthioethers Ketals Pyrans Oxanes Monosaccharides Dicarboxylic acids and derivatives Acetamides Methyl esters Secondary carboxylic acid amides Hemiacetals Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Organic oxides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acylneuraminic acid or derivatives - C-glucuronide - C-glycosyl compound - Glycosyl compound - Benzylether - Aryl thioether - Thiophenol ether - Ketal - Alkylarylthioether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Pyran - Benzenoid - Methyl ester - Acetamide - Secondary carboxylic acid amide - Hemiacetal - Carboxamide group - Carboxylic acid ester - Thioether - Organoheterocyclic compound - Sulfenyl compound - Acetal - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acylneuraminic acids and derivatives. These are neuraminic acids (or derivatives thereof) carrying an N-acyl substituent.
External Descriptors
Not available