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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:15:32 UTC
Update Date2025-03-24 21:59:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01956147
Frequency0.6
Structure
Chemical FormulaC6H13NO
Molecular Mass115.0997
SMILESCCC(C)=NCCO
InChI KeyAXKBFBIKIGQBFW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass imines
Direct Parent secondary ketimines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkanolamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • secondary ketimine
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound
  • alkanolamine