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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:35:27 UTC
Update Date2025-03-21 18:46:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00146686
Frequency16.7
Structure
Chemical FormulaC5H9NO2
Molecular Mass115.0633
SMILESNCCCC(=O)C=O
InChI KeyJJFQNDKHTFLOHC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha ketoaldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketones
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • alpha-ketoaldehyde