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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:44 UTC
Update Date2025-03-25 00:53:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202921
Frequency0.5
Structure
Chemical FormulaC7H10N2O3S
Molecular Mass202.0412
SMILESO=C1NC2CC(C(=O)O)C(CS2)N1
InChI KeyIRYPSGJOMODTFV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepanes
Subclass 1,3-diazepanes
Direct Parent 1,3-diazepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • thianes
  • thiohemiaminal derivatives
    • Substituents
  • 1,3-diazepane
  • carbonyl group
  • carbonic acid derivative
  • carboxylic acid
  • azacycle
  • dialkylthioether
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • organonitrogen compound
  • hemithioaminal
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • thiane