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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:29 UTC
Update Date2025-03-25 00:57:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227689
Frequency0.5
Structure
Chemical FormulaC7H9NO2S
Molecular Mass171.0354
SMILESCC(=O)C(=O)C1=NCCCS1
InChI KeyQDDOVEIBHAWLJS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiazines
Subclass 1,3-thiazines
Direct Parent 1,3-thiazines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha-diketones
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • alpha-diketone
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • meta-thiazine
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound