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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:06 UTC
Update Date2025-03-21 18:32:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00093463
Frequency29.8
Structure
Chemical FormulaC5H8O8S
Molecular Mass227.994
SMILESO=C1OCC(O)C(O)C1OS(=O)(=O)O
InChI KeyQUIDSXWBEMMLDM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass delta valerolactones
Direct Parent delta valerolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acid esters
  • 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
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • oxane
  • delta_valerolactone
  • 1,2-diol
  • alcohol
  • organic sulfuric acid or derivatives
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound