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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:38:34 UTC
Update Date2025-03-21 17:58:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00012174
Frequency374.9
Structure
Chemical FormulaC6H10O9S
Molecular Mass258.0046
SMILESO=C1OC(COS(=O)(=O)O)C(O)C(O)C1O
InChI KeyXPXSOFVVPLBTRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent gluconolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acid esters
  • delta valerolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • delta valerolactone
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • gluconolactone
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • oxane
  • delta_valerolactone
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • oxacycle
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester