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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:27:44 UTC
Update Date2025-03-25 01:51:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02543508
Frequency0.5
Structure
Chemical FormulaC6H11NO2
Molecular Mass129.079
SMILESCC1N=C(O)CC1(C)O
InChI KeyWBFRBRMRPKBGIL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • tertiary alcohols
    • Substituents
  • alcohol
  • azacycle
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • tertiary alcohol
  • pyrroline
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound