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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:07:33 UTC
Update Date2025-03-24 16:40:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00932496
Frequency1.5
Structure
Chemical FormulaC5H7NO2
Molecular Mass113.0477
SMILESNC1C(=O)CCC1=O
InChI KeyHONVBDHDLJUKLX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-diketones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • cyclic ketone
  • ketone
  • organic oxide
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • 1,3-diketone