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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:53 UTC
Update Date2025-03-25 00:46:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157757
Frequency0.5
Structure
Chemical FormulaC11H18N2O4S
Molecular Mass274.0987
SMILESO=C(O)CCCCC1(O)CSCC2NC(=O)NC21
InChI KeyHYCDCCDLVYLWKZ-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 heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • imidazolidinones
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary alcohols
  • thianes
  • Substituents
  • imidazolidine
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • heterocyclic fatty acid
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • aliphatic heteropolycyclic compound
  • imidazolidinone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organoheterocyclic compound
  • thiane
  • alcohol
  • carbonic acid derivative
  • azacycle
  • dialkylthioether
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound