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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:26 UTC
Update Date2025-03-25 00:53:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202225
Frequency0.5
Structure
Chemical FormulaC9H16N3O3S+
Molecular Mass246.0907
SMILESC[N+](C)(C)OC(Cc1c[nH]c(=S)[nH]1)C(=O)O
InChI KeyIOUXJSNTAPLFAN-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass imidazolines
Direct Parent imidazolethiones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monocarboxylic acids and derivatives
  • n-organohydroxylamines
  • organic cations
  • organic oxides
  • organopnictogen compounds
  • thioureas
    • Substituents
  • carbonyl group
  • thiourea
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • imidazole-2-thione
  • organosulfur compound
  • carboxylic acid derivative
  • n-organohydroxylamine
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound
  • azole