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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:30:40 UTC
Update Date2025-03-24 21:40:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01850184
Frequency0.7
Structure
Chemical FormulaC5H10N2O2
Molecular Mass130.0742
SMILESNCCC1(O)CN=C1O
InChI KeyQNTZTFQPZUTYIA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • lactims
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • tertiary alcohol
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • lactim
  • cyclic carboximidic acid
  • organoheterocyclic compound