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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:36:03 UTC
Update Date2025-03-21 17:57:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00006235
Frequency832.8
Structure
Chemical FormulaC4H9NO3
Molecular Mass119.0582
SMILESCC(O)(CN)C(=O)O
InChI KeyZOUFWABTGGIWTK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • hydroxy acid
  • beta amino acid or derivatives
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound