Compound Identification
SMILES
CC(=O)NC1C(O)CC(OCC2OC(OC3=CC=CC=C3[N+]([O-])=O)C(NC(C)=O)C(OC3OC(COS(O)(=O)=O)C(O)C(O)C3O)C2O)(OC1C(O)C(O)CO)C(O)=O
InChIKey
InChIKey=OEZIZRHPVJSYGR-UHFFFAOYSA-N
Formula
C31H45N3O24S
Mass
875.76
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 Disaccharide sulfates N-acyl-alpha-hexosamines C-glucuronides C-glycosyl compounds O-glycosyl compounds Nitrobenzenes Nitroaromatic compounds Phenoxy compounds Phenol ethers Ketals Alkyl sulfates Sulfuric acid monoesters Pyrans Oxanes Acetamides Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Polyols Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organic salts Carbonyl compounds Primary alcohols Organopnictogen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acylneuraminic acid - Neuraminic acid - Disaccharide sulfate - N-acyl-alpha-hexosamine - C-glucuronide - O-glycosyl compound - C-glycosyl compound - Disaccharide - Glycosyl compound - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Ketal - Oxane - Pyran - Sulfuric acid monoester - Sulfate-ester - Monocyclic benzene moiety - Alkyl sulfate - Sulfuric acid ester - Benzenoid - Organic sulfuric acid or derivatives - Acetamide - Secondary alcohol - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Polyol - Organopnictogen compound - Organic oxide - Organic salt - Carbonyl group - Hydrocarbon derivative - Alcohol - Primary alcohol - Organonitrogen compound - Organic nitrogen compound - Organic cation - 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