Hmdb loader

Showing information for DMID00040695

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:50:55 UTC
Update Date2025-03-21 18:02:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00040695
Frequency84.8
Structure
Chemical FormulaC12H21NO14S
Molecular Mass435.0683
SMILESO=C(O)C1OC(OC2C(CO)OC(O)C(NS(=O)(=O)O)C2O)C(O)C(O)C1O
InChI KeyKNKWELGWBDSUOG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • sulfuric acid monoamides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • organic sulfuric acid or derivatives
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • sulfuric acid monoamide
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound