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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:21 UTC
Update Date2025-03-25 00:50:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181608
Frequency0.5
Structure
Chemical FormulaC12H22O7S
Molecular Mass310.1086
SMILESO=C(O)CCCCCSCC1OC(O)C(O)C(O)C1O
InChI KeyWEBIWRACEPGEAZ-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
  • dialkylthioethers
  • hemiacetals
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • sulfenyl compounds
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • heterocyclic fatty acid
  • monosaccharide
  • fatty acid
  • organosulfur compound
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • medium-chain fatty acid
  • hydroxy fatty acid
  • oxane
  • organoheterocyclic compound
  • alcohol
  • sulfenyl compound
  • dialkylthioether
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound