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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:13:55 UTC
Update Date2025-03-24 16:44:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00947694
Frequency1.5
Structure
Chemical FormulaC6H13N3O
Molecular Mass143.1059
SMILESCC(O)C(N)C1=NCCN1
InChI KeyXJKAQALDFBRKPW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidolactams
Subclass imidolactams
Direct Parent imidolactams
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • carboximidamides
  • hydrocarbon derivatives
  • imidazolines
  • monoalkylamines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • azacycle
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • 2-imidazoline
  • imidazoline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • imidolactam
  • organooxygen compound