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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:18 UTC
Update Date2025-03-25 00:50:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181482
Frequency0.5
Structure
Chemical FormulaC16H27NO6S
Molecular Mass361.1559
SMILESO=C(O)CCCCC1CC2CS(=O)(=O)C(CCCCC(=O)O)C2N1
InChI KeyMYIBNPSZOORBMM-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
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • dicarboxylic acids and derivatives
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrrolidines
  • sulfones
  • thiolanes
    • 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
  • pyrrolidine
  • organoheterocyclic compound
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine
  • sulfone