Compound Identification
SMILES
CNC(=O)N1CCN(CC2=CC(=NC=C2)N(C2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C2=NC=C(S2)[14C]#N)CC1
InChIKey
InChIKey=XLYJTPUDCKRSIT-JZFQBNRLSA-N
Formula
C22H27N7O7S
Mass
535.55
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
-
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
Hexoses Alkyldiarylamines Glycosylamines Piperazine carboxamides Beta hydroxy acids and derivatives Aralkylamines Aminopyridines and derivatives N-alkylpiperazines 2,5-disubstituted thiazoles Imidolactams 2-amino-1,3-thiazoles Oxanes Pyrans Heteroaromatic compounds Amino acids Trialkylamines Secondary alcohols Ureas Polyols Oxacyclic compounds Nitriles Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-glucuronide - 1-n-glucuronide - Hexose monosaccharide - Alkyldiarylamine - Glycosyl compound - N-glycosyl compound - Piperazine-1-carboxamide - Beta-hydroxy acid - 2,5-disubstituted 1,3-thiazole - N-alkylpiperazine - Aralkylamine - Aminopyridine - Monosaccharide - Hydroxy acid - 1,4-diazinane - Oxane - 1,3-thiazol-2-amine - Piperazine - Pyran - Pyridine - Imidolactam - Thiazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Amino acid - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Urea - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Carboxylic acid - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Amine - Alcohol - Organic nitrogen compound - Cyanide - Organic oxide - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - 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