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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:05 UTC
Update Date2025-03-25 00:53:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199135
Frequency0.5
Structure
Chemical FormulaC11H18O5S
Molecular Mass262.0875
SMILESO=C(O)CCCCC1C(C2CC2)COS1(=O)=O
InChI KeyGIOCYPVVHQWUIS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass medium-chain hydroxy acids and derivatives
Direct Parent medium-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • gamma sultones
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organosulfonic acid esters
  • oxacyclic compounds
  • sulfonic acid esters
    • Substituents
  • fatty acyl
  • organosulfonic acid or derivatives
  • carbonyl group
  • carboxylic acid
  • oxathiolane
  • heterocyclic fatty acid
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • 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
  • medium-chain fatty acid
  • gamma-sultone
  • organoheterocyclic compound
  • organooxygen compound