Compound Identification
SMILES
CCOC(=O)C1=CC(C)=NC(SCC2=CN(N=N2)C2=CC(C(F)F)=C(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=C2)=C1C#N
InChIKey
InChIKey=AUFQQGPZNBWECD-SZSBFUAESA-N
Formula
C31H34F2N6O11S
Mass
736.7
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
Neuraminic acids C-glucuronides C-glycosyl compounds Phenyl-1,2,3-triazoles Phenoxyacetic acid derivatives Pyridinecarboxylic acids 3-pyridinecarbonitriles Phenoxy compounds Phenol ethers Alkylarylthioethers Methylpyridines Ketals Pyrans Oxanes Dicarboxylic acids and derivatives Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Oxacyclic compounds Carboxylic acids Polyols Azacyclic compounds Sulfenyl compounds Nitriles Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Carbonyl compounds Primary alcohols Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acylneuraminic acid - Neuraminic acid - C-glucuronide - Phenyl-1,2,3-triazole - Phenyltriazole - C-glycosyl compound - Glycosyl compound - Phenoxyacetate - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Phenoxy compound - Aryl thioether - 3-pyridinecarbonitrile - Phenol ether - Alkylarylthioether - Methylpyridine - Ketal - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Oxane - Pyran - Pyridine - Benzenoid - Azole - Acetamide - 1,2,3-triazole - Triazole - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Thioether - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Oxacycle - Acetal - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Polyol - Alcohol - Organic nitrogen compound - Primary alcohol - Cyanide - Organic oxide - Organopnictogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - 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