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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:17 UTC
Update Date2025-03-25 00:50:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181461
Frequency0.5
Structure
Chemical FormulaC14H23NO2S
Molecular Mass269.145
SMILESO=C(O)CCCCC1SCC2C1CC1CCCN12
InChI KeyZNUHYXITFFUTTQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolizidines
Subclass pyrrolizidines
Direct Parent pyrrolizidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • thiolanes
  • trialkylamines
    • Substituents
  • thiolane
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • heterocyclic fatty acid
  • fatty acid
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • pyrrolidine
  • tertiary amine
  • azacycle
  • n-alkylpyrrolidine
  • dialkylthioether
  • tertiary aliphatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • pyrrolizidine
  • organic nitrogen compound
  • amine
  • organooxygen compound