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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:42:50 UTC
Update Date2025-03-24 20:52:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01592813
Frequency0.8
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESCC(=O)C=NCCC(=O)O
InChI KeyASOFABVDMNODOC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldimines
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • carboxylic acid
  • imine
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • aldimine
  • organic oxide
  • monocarboxylic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound