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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:08 UTC
Update Date2025-03-21 18:36:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00113083
Frequency23.4
Structure
Chemical FormulaC9H15NO4S
Molecular Mass233.0722
SMILESO=C(O)CCCCC1C2NC2CS1(=O)=O
InChI KeyJKFALWVJCNEPAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent medium-chain fatty acids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • aziridines
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • sulfones
  • thiolanes
  • thiomorpholines
    • Substituents
  • thiolane
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • heterocyclic fatty acid
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • organoheterocyclic compound
  • 1,4-thiazinane
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • aziridine
  • organooxygen compound
  • amine
  • sulfone