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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:19:25 UTC
Update Date2025-03-24 20:16:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01393608
Frequency0.9
Structure
Chemical FormulaC6H9NO2
Molecular Mass127.0633
SMILESC=CCN=C(C)C(=O)O
InChI KeyNTCSUQSYBPAYRS-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
    • Substituents
  • 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
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound