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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:05 UTC
Update Date2025-03-25 00:52:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196801
Frequency0.5
Structure
Chemical FormulaC12H20O5S
Molecular Mass276.1031
SMILESCCC=CCC1COS(=O)(=O)C1CCCC(=O)O
InChI KeyYBAWTCYMSMNQPJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxathiolanes
Subclass gamma sultones
Direct Parent gamma sultones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • fatty acyls
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organosulfonic acid esters
  • oxacyclic compounds
  • short-chain hydroxy acids and derivatives
  • sulfonic acid esters
    • Substituents
  • fatty acyl
  • organosulfonic acid or derivatives
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • heterocyclic fatty acid
  • carboxylic acid derivative
  • organosulfonic acid ester
  • sulfonic acid ester
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • gamma-sultone
  • organooxygen compound