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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:44:02 UTC
Update Date2025-03-24 17:56:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01019957
Frequency1.4
Structure
Chemical FormulaC6H11NO
Molecular Mass113.0841
SMILESCC1=NCCC(C)O1
InChI KeyIAMWCVYWUFKLDA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboximidic acids and derivatives
Subclass imidoesters
Direct Parent imidoesters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • organic 1,3-dipolar compound
  • imido ester
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound