Compound Identification
SMILES
[NH4+].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](O[C@@]3(C[C@H](O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\C(=O)NC1=C(OC2=C(SC=C2)C(=O)OC)C=CC(=C1)C(F)(F)F
InChIKey
InChIKey=IECDEQRLQJQLRO-BZZINZHHSA-N
Formula
C74H116F3N5O35S
Mass
1724.8
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
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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 Diarylethers O-glycosyl compounds Trifluoromethylbenzenes Anilides Phenol ethers Phenoxy compounds Thiophene carboxylic acids and derivatives N-arylamides Ketals Oxanes Dicarboxylic acids and derivatives Pyrans N-acyl amines Acetamides Heteroaromatic compounds Methyl esters Carboxylic acid salts Secondary alcohols Secondary carboxylic acid amides Carboxylic acids Polyols Oxacyclic compounds Organic oxides Organic salts Alkyl fluorides Primary alcohols Carbonyl compounds Organic zwitterions Organofluorides Organopnictogen compounds Hydrocarbon derivatives
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 - C-glycosyl compound - Glycosyl compound - Diaryl ether - Trifluoromethylbenzene - Anilide - Phenoxy compound - Phenol ether - Thiophene carboxylic acid or derivatives - N-arylamide - Ketal - Benzenoid - Fatty acyl - N-acyl-amine - Fatty amide - Oxane - Pyran - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Thiophene - Acetamide - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid salt - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Ether - Polyol - Alkyl halide - Organic salt - Organic nitrogen compound - Alkyl fluoride - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Primary alcohol - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organohalogen 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