Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:32:37 UTC
Update Date2025-03-21 22:49:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00562594
Frequency2.9
Structure
Chemical FormulaC5H4O4
Molecular Mass128.011
SMILESO=CC(=O)C=CC(=O)O
InChI KeyHBMMAQRLOYJZIL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent unsaturated fatty acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha ketoaldehydes
  • carboxylic acids
  • enones
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • aldehyde
  • alpha,beta-unsaturated ketone
  • carboxylic acid derivative
  • ketone
  • unsaturated fatty acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • acryloyl-group
  • alpha-ketoaldehyde
  • organooxygen compound
  • enone