Compound Identification
SMILES
CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC2=C(C=C(C=C2)N2C=C(CSC3=NN=C(O3)C3=CC=CO3)N=N2)C(F)F)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
InChIKey
InChIKey=PGJCLCCUZVFINP-UDZFSCRASA-N
Formula
C27H28F2N6O11S
Mass
682.61
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 Phenoxy compounds Phenol ethers Ketals Alkylarylthioethers Pyrans Oxanes Furans 1,3,4-oxadiazoles Heteroaromatic compounds Acetamides Secondary alcohols Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Polyols Sulfenyl compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acylneuraminic acid - Neuraminic acid - C-glucuronide - Phenoxyacetate - Glycosyl compound - C-glycosyl compound - Phenyltriazole - Phenyl-1,2,3-triazole - Phenoxy compound - Phenol ether - Aryl thioether - Ketal - Alkylarylthioether - Pyran - Oxane - Monocyclic benzene moiety - Benzenoid - Oxadiazole - 1,2,3-triazole - Triazole - 1,3,4-oxadiazole - Heteroaromatic compound - Acetamide - Furan - Azole - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Acetal - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Polyol - Alkyl halide - Alkyl fluoride - Alcohol - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Primary 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