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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:08 UTC
Update Date2025-03-25 00:46:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156101
Frequency0.5
Structure
Chemical FormulaC6H13NOS
Molecular Mass147.0718
SMILESCSCCNCC(C)=O
InChI KeyFIFKFPXWYJZMCN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • dialkylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • sulfenyl compound
  • dialkylthioether
  • secondary amine
  • organosulfur compound
  • ketone
  • organic oxide
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine