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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:28:06 UTC
Update Date2025-03-24 21:38:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01844027
Frequency0.7
Structure
Chemical FormulaC7H13NO2
Molecular Mass143.0946
SMILESCC1(O)CCCCC(O)=N1
InChI KeyOAEJXVHZWUEMDH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepines
Subclass azepines
Direct Parent azepines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkanolamines
  • azacyclic compounds
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • azepine
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound
  • alkanolamine