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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:57 UTC
Update Date2025-03-25 00:55:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02212856
Frequency0.5
Structure
Chemical FormulaC9H15NO2S
Molecular Mass201.0824
SMILESCCCCCC(O)C(=O)CN=C=S
InChI KeyTZGAWIZPRZMGAV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyloins
  • alpha-hydroxy ketones
  • hydrocarbon derivatives
  • isothiocyanates
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • isothiocyanate
  • carbonyl group
  • monosaccharide
  • organic 1,3-dipolar compound
  • organosulfur compound
  • alpha-hydroxy ketone
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • acyloin
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound