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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:59:33 UTC
Update Date2025-03-21 22:03:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00484035
Frequency3.6
Structure
Chemical FormulaC5H8N2OS
Molecular Mass144.0357
SMILESCC(=O)C1=NCNCS1
InChI KeyGQJDBFNZKWBFAO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • thiohemiaminal derivatives
    • Substituents
  • secondary aliphatic amine
  • azacycle
  • organic 1,3-dipolar compound
  • secondary amine
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • hemithioaminal
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • amine