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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:01 UTC
Update Date2025-03-25 00:54:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203554
Frequency0.5
Structure
Chemical FormulaC13H22N2O2S
Molecular Mass270.1402
SMILESO=C(O)CCCCCCCCCc1c[nH]c(=S)[nH]1
InChI KeyXTBSLFSNXAZNJT-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 aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • imidazoles
  • imidazolethiones
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • thioureas
    • Substituents
  • carbonyl group
  • thiourea
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • heterocyclic fatty acid
  • imidazole-2-thione
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • organoheterocyclic compound
  • azole
  • azacycle
  • heteroaromatic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound