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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:11:39 UTC
Update Date2025-03-21 18:32:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00089906
Frequency31.4
Structure
Chemical FormulaC7H11NO3S
Molecular Mass189.046
SMILESO=C(O)CC(O)CCCN=C=S
InChI KeyXTQCHFXJOPMQFT-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 acyclic compounds
Alternative Parents
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • isothiocyanates
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • isothiocyanate
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • organosulfur compound
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • propargyl-type 1,3-dipolar organic compound
  • beta-hydroxy acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • alcohol
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound