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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:18 UTC
Update Date2025-03-21 18:07:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00067651
Frequency44.9
Structure
Chemical FormulaC6H11NO3
Molecular Mass145.0739
SMILESCCNC(=O)C(C)C(=O)O
InChI KeyAJMRSZAPPTVARI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent 1,3-dicarbonyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • aliphatic acyclic compound
  • carboxylic acid
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound