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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:40 UTC
Update Date2025-03-21 18:37:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116802
Frequency22.5
Structure
Chemical FormulaC9H15N3O2S
Molecular Mass229.0885
SMILESCC(=O)CCC1SCC2NC(=O)NC1N2
InChI KeyUKCYYLLKURTSOS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiazinanes
Subclass thiomorpholines
Direct Parent thiomorpholines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3,5-triazinanes
  • azacyclic compounds
  • dialkylamines
  • dialkylthioethers
  • hydrocarbon derivatives
  • ketones
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • 1,4-thiazinane
  • secondary aliphatic amine
  • carbonyl group
  • carbonic acid derivative
  • azacycle
  • dialkylthioether
  • 1,3,5-triazinane
  • secondary amine
  • triazinane
  • ketone
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organic oxygen compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine