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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:33:53 UTC
Update Date2025-03-25 00:20:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01285171
Frequency1.0
Structure
Chemical FormulaC5H9NO2
Molecular Mass115.0633
SMILESCC(=O)CCCN=O
InChI KeyKLYFMKJCOONART-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • c-nitroso compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • organic nitroso compound
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • c-nitroso compound
  • hydrocarbon derivative
  • organic nitrogen compound