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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:14:46 UTC
Update Date2025-03-25 00:37:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02097119
Frequency0.6
Structure
Chemical FormulaC6H9NO
Molecular Mass111.0684
SMILESCCC(=O)C1=NCC1
InChI KeyTVYZHXHZGKGTBW-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
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound