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](OC3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)C(O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C/C1=CC(=CC(Cl)=C1F)C(F)(F)F
InChIKey
InChIKey=VVBOSENKOJTBNG-MYYDBLCFSA-N
Formula
C67H106ClF4N3O31
Mass
1561.02
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 O-glycosyl compounds C-glycosyl compounds Cinnamyl alcohols Trifluoromethylbenzenes Styrenes Fluorobenzenes Chlorobenzenes Ketals Oxanes Aryl chlorides Aryl fluorides N-acyl amines Pyrans Acetamides Secondary alcohols Secondary carboxylic acid amides Polyols Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Primary alcohols Carbonyl compounds Organofluorides Organonitrogen compounds Organopnictogen compounds Organochlorides Organic oxides Alkyl fluorides Hydrocarbon derivatives
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 - Trifluoromethylbenzene - Cinnamyl alcohol - Styrene - Ketal - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Pyran - N-acyl-amine - Fatty acyl - Benzenoid - Oxane - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Acetal - Monocarboxylic acid or derivatives - Polyol - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Primary alcohol - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Alkyl halide - Alcohol - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - 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