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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:08 UTC
Update Date2025-03-25 00:45:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149088
Frequency0.5
Structure
Chemical FormulaC10H20N2OS
Molecular Mass216.1296
SMILESCC(C)CC(N)C(O)=NC1CCSC1
InChI KeyIVQAVGRCILHDEC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolanes
Subclass thiolanes
Direct Parent thiolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carboximidic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • thiolane
  • carboximidic acid
  • dialkylthioether
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • thioether
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound