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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:13 UTC
Update Date2025-03-21 18:06:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00065023
Frequency47.2
Structure
Chemical FormulaC9H14N2O3S
Molecular Mass230.0725
SMILESCSCC1OC(n2ccnc2)C(O)C1O
InChI KeyIBQFSZYXWIWGMK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent n-substituted imidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monosaccharides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • sulfenyl compounds
  • tetrahydrofurans
    • Substituents
  • aromatic heteromonocyclic compound
  • monosaccharide
  • organosulfur compound
  • saccharide
  • organonitrogen compound
  • organopnictogen compound
  • 1,2-diol
  • n-substituted imidazole
  • alcohol
  • sulfenyl compound
  • azacycle
  • tetrahydrofuran
  • dialkylthioether
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • thioether
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound