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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:30:26 UTC
Update Date2025-03-24 22:14:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01130901
Frequency1.2
Structure
Chemical FormulaC6H12N2O
Molecular Mass128.095
SMILESCC(O)C1=NCCNC1
InChI KeyXQVBSPXVORRLBA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass imines
Direct Parent ketimines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • secondary aliphatic amine
  • ketimine
  • azacycle
  • organic 1,3-dipolar compound
  • secondary amine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound
  • amine