Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:48:43 UTC
Update Date2025-03-21 20:04:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00316494
Frequency6.2
Structure
Chemical FormulaC5H9NO3
Molecular Mass131.0582
SMILESCC(=O)C(CN)C(=O)O
InChI KeyHZKQANXKGQLJDZ-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
  • 1,3-dicarbonyl compounds
  • beta-hydroxy ketones
  • beta-keto acids and derivatives
  • branched fatty acids
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • short-chain keto acids and derivatives
  • Substituents
  • fatty acyl
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain keto acid
  • branched fatty acid
  • beta amino acid or derivatives
  • beta-keto acid
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • keto acid
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound