Compound Identification
SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CNC(=O)COCCOCC(=O)NC3=CC=C(CNC4=C5C(=CC(=C4)S(O)(=O)=O)C=C(C=C5S(O)(=O)=O)S(O)(=O)=O)C=C3)OCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](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@H]2OC(=O)C2=CC=CC=C2)[C@@H](O)[C@H](O)[C@@H]1O
InChIKey
InChIKey=LONORJRCYNXXMH-RJZOGBQSSA-N
Formula
C59H76N4O34S3
Mass
1481.43
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 C-glucuronides 1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates C-glycosyl compounds O-glycosyl compounds Benzoic acid esters Anilides 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Phenylmethylamines Benzylamines N-arylamides Secondary alkylarylamines Aralkylamines Ketals Dicarboxylic acids and derivatives Oxanes Pyrans Sulfonyls Organosulfonic acids Acetamides Amino acids Carboxylic acid esters Secondary carboxylic acid amides Secondary alcohols Polyols Oxacyclic compounds Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Primary alcohols Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oligosaccharide - N-acylneuraminic acid - Neuraminic acid - C-glucuronide - Naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - Glycosyl compound - O-glycosyl compound - C-glycosyl compound - Benzoate ester - Naphthalene - Anilide - Benzoic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzoyl - N-arylamide - Phenylmethylamine - Benzylamine - Aralkylamine - Ketal - Secondary aliphatic/aromatic amine - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Oxane - Pyran - Organosulfonic acid - Sulfonyl - Organosulfonic acid or derivatives - Acetamide - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Amino acid - Secondary alcohol - Secondary carboxylic acid amide - Acetal - Oxacycle - Organoheterocyclic compound - Secondary amine - Polyol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Organic nitrogen compound - Amine - Primary alcohol - Carbonyl group - Organosulfur compound - Organopnictogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic 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