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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:13 UTC
Update Date2025-03-25 01:01:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247636
Frequency0.5
Structure
Chemical FormulaC8H14N2OS
Molecular Mass186.0827
SMILESCc1ncsc1CCC(O)CN
InChI KeyZYGRGJDSYGRFAH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent 4,5-disubstituted thiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • 4,5-disubstituted 1,3-thiazole
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound