Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:58:09 UTC
Update Date2025-03-25 00:31:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02057670
Frequency0.6
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESNC1CC(=O)CC1C(=O)O
InChI KeyWTZDSCONBNHGDI-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 homomonocyclic compounds
Alternative Parents
  • carboxylic acids
  • cyclic ketones
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • carboxylic acid
  • cyclic ketone
  • beta amino acid or derivatives
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound