Compound Identification
SMILES
[Na+].O[C@@H]1[C@@H](O)[C@H](NNC(=O)C2=CC=NC=C2)O[C@@H]([C@H]1O)C([O-])=O
InChIKey
InChIKey=NQGMPKVPISRKHH-QXNWBJLBSA-M
Formula
C12H14N3NaO7
Mass
335.248
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
Glucuronic acid derivatives
-
Level 7
Glucuronides
- Level 8 N-glucuronides
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Level 7
Glucuronides
-
Level 6
Glucuronic acid 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 - Glucuronic acid derivatives - Glucuronides
Direct Parent
N-glucuronides
Alternative Parents
Pyridinecarboxylic acids and derivatives Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Heteroaromatic compounds Secondary alcohols Carboxylic acid hydrazides Carboxylic acid salts Azacyclic compounds Polyols Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organic sodium salts Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-n-glucuronide - Pyridine carboxylic acid or derivatives - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Oxane - Pyran - Pyridine - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Polyol - Organoheterocyclic compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organic oxide - Organonitrogen compound - Organic sodium salt - Hydrocarbon derivative - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a N-glycosidic bond.
External Descriptors
Not available