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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:49:39 UTC
Update Date2025-03-21 22:58:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00603573
Frequency2.7
Structure
Chemical FormulaC6H11NOS
Molecular Mass145.0561
SMILESNC1CCSCCC1=O
InChI KeyLKHQMSMCYRSDMK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiepanes
Subclass thiepanes
Direct Parent thiepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • dialkylthioether
  • cyclic ketone
  • ketone
  • organic oxide
  • organic oxygen compound
  • thioether
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • thiepane
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound