Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:56:01 UTC
Update Date2025-03-25 01:14:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02329781
Frequency0.5
Structure
Chemical FormulaC4H5NO3
Molecular Mass115.0269
SMILESN=CC(=O)CC(=O)O
InChI KeyAMBZRUJVCSJZSX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass short-chain keto acids and derivatives
Direct Parent short-chain keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • beta-hydroxy ketones
  • beta-keto acids and derivatives
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain keto acid
  • carboxylic acid derivative
  • beta-keto acid
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound