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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:40 UTC
Update Date2025-03-25 00:56:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02216734
Frequency0.5
Structure
Chemical FormulaC7H13NO3
Molecular Mass159.0895
SMILESCCC(O)CN=C(C)C(=O)O
InChI KeyBVMMAOXCMBBLMZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass imines
Direct Parent secondary ketimines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • secondary ketimine
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound