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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:35 UTC
Update Date2025-03-21 18:40:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130858
Frequency19.4
Structure
Chemical FormulaC6H9NO2S
Molecular Mass159.0354
SMILESCC(=O)C(O)C1=NCCS1
InChI KeyVPXBUWQZUNYVQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent acyloins
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha-hydroxy ketones
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • thiazolines
    • Substituents
  • alcohol
  • meta-thiazoline
  • azacycle
  • organic 1,3-dipolar compound
  • alpha-hydroxy ketone
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • acyloin
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound