Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:23:04 UTC
Update Date2025-03-25 01:02:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02254043
Frequency0.5
Structure
Chemical FormulaC4H8O5
Molecular Mass136.0372
SMILESCC(CO)(OO)C(=O)O
InChI KeyTVOVDVDROGSGLR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkyl hydroperoxides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • peroxols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • hydroperoxide
  • carboxylic acid derivative
  • peroxol
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • alkyl hydroperoxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound