Compound Identification
SMILES
CC(=O)NC1C(O)CC(OC2=CC=C(C=C2)[N+]([O-])=O)(OC1C(O)C(O)CO)C([O-])=O
InChIKey
InChIKey=OICUZSPXIJAAEA-UHFFFAOYSA-M
Formula
C17H21N2O11
Mass
429.359
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 C-glucuronides C-glycosyl compounds Phenoxyacetic acid derivatives Nitrobenzenes Nitroaromatic compounds Phenoxy compounds Phenol ethers Ketals Oxanes Pyrans Acetamides Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Polyols Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Organic oxoazanium compounds Primary alcohols Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acylneuraminic acid - Neuraminic acid - C-glucuronide - Phenoxyacetate - Glycosyl compound - C-glycosyl compound - Nitrobenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Ketal - Benzenoid - Monocyclic benzene moiety - Pyran - Oxane - Acetamide - Carboxamide group - Carboxylic acid salt - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Secondary alcohol - Acetal - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Polyol - Organic nitrogen compound - Alcohol - Organopnictogen compound - Organic oxide - Organic salt - Primary alcohol - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - 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