Compound Identification
SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCNC(=O)[C@H]3CC[C@H](CN4C(=O)C=CC4=O)CC3)O[C@@H](CO)[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]2O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=IIRKVOHVOWGUBD-OTPAHJJDSA-N
Formula
C49H78N4O26
Mass
1139.165
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
-
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 O-glycosyl compounds Ketals Maleimides Pyrans N-substituted carboxylic acid imides Oxanes Acetamides Dicarboximides Pyrrolines Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Azacyclic compounds Polyols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Oligosaccharide - N-acylneuraminic acid - Neuraminic acid - N-acyl-alpha-hexosamine - Fatty acyl glycoside - C-glucuronide - Alkyl glycoside - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - Maleimide - Ketal - Carboxylic acid imide, n-substituted - Oxane - Fatty acyl - Pyran - Dicarboximide - Acetamide - Carboxylic acid imide - Pyrroline - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Polyol - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Aliphatic 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