Compound Identification
SMILES
CC(=O)NC[C@@H](O)[C@@H](O)[C@@H]1O[C@](S)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O
InChIKey
InChIKey=TUBHPQLKSCVHHY-GRRZBWEESA-N
Formula
C13H22N2O8S
Mass
366.39
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 C-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
C-glucuronides
Alternative Parents
C-glycosyl compounds Pyrans Oxanes Acetamides Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Alkylthiols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
C-glucuronide - C-glycosyl compound - Glycosyl compound - Pyran - Oxane - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Alkylthiol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Alcohol - Organonitrogen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as c-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a C-glycosidic bond.
External Descriptors
Not available