Compound Identification
SMILES
COC(=O)C1OC(SC2=NC=NC3=C2NC=N3)C(O)C(O)C1O
InChIKey
InChIKey=PJFRVIWMZDBMEC-UHFFFAOYSA-N
Formula
C12H14N4O6S
Mass
342.33
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 S-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
S-glucuronides
Alternative Parents
Thioglycosides 6-thiopurines Aryl thioethers Beta hydroxy acids and derivatives Pyrimidines and pyrimidine derivatives Pyrans Oxanes Monosaccharides Heteroaromatic compounds Imidazoles Methyl esters Monothioacetals Secondary alcohols Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Polyols Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
S-glucuronide - 1-s-glucuronide - Glycosyl compound - S-glycosyl compound - 6-thiopurine - Imidazopyrimidine - Purine - Aryl thioether - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Oxane - Pyran - Pyrimidine - Imidazole - Heteroaromatic compound - Monothioacetal - Methyl ester - Azole - Carboxylic acid ester - Secondary alcohol - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Oxacycle - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organonitrogen compound - Carbonyl group - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as s-glucuronides. These are carbohydrate derivatives containing glucuronic acid linked to another substance through a S-glycosidic bond.
External Descriptors
Not available