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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:34:13 UTC
Update Date2025-03-24 21:14:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01716192
Frequency0.7
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESCN1CC(C(=O)C(=O)O)C1
InChI KeyDLJAITHUGAFWHS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass alpha-keto acids and derivatives
Direct Parent alpha-keto acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • azetidines
  • beta-amino ketones
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-keto acid
  • organopnictogen compound
  • beta-aminoketone
  • tertiary amine
  • organoheterocyclic compound
  • azacycle
  • tertiary aliphatic amine
  • azetidine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound