Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:32:00 UTC
Update Date2025-03-24 17:51:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00991306
Frequency1.4
Structure
Chemical FormulaC4H5NO4
Molecular Mass131.0219
SMILESCC(=O)ON=CC(=O)O
InChI KeyKKAXFYDPDIJKPR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass dicarboxylic acids and derivatives
Direct Parent dicarboxylic acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acetate salts
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • organic oxides
  • organic salts
  • organonitrogen compounds
  • organopnictogen compounds
  • oxime esters
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • acetate salt
  • oximester
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic salt
  • carboxylic acid salt
  • organooxygen compound