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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:00 UTC
Update Date2025-03-25 00:51:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185319
Frequency0.5
Structure
Chemical FormulaC7H12N2O2S
Molecular Mass188.0619
SMILESNC(=O)C(CS)C1CCC(O)=N1
InChI KeyJQAYCVIYJLKOBM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkylthiols
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • primary carboxylic acid amides
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • primary carboxylic acid amide
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • organosulfur compound
  • carboxamide group
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • pyrroline
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • alkylthiol
  • organooxygen compound