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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:35:07 UTC
Update Date2025-03-25 01:29:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02420645
Frequency0.5
Structure
Chemical FormulaC6H12N2O2
Molecular Mass144.0899
SMILESNCC(O)C1CCN=C1O
InChI KeyYQBITSYNVQUGGI-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
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • azacycle
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • pyrroline
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound