Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:51:41 UTC
Update Date2025-03-25 01:13:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02319829
Frequency0.5
Structure
Chemical FormulaC5H10O4
Molecular Mass134.0579
SMILESCC(C)(CO)C(=O)OO
InChI KeyJLDURWTXWMLEQQ-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
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic hydroperoxides
  • organic oxides
  • peroxols
  • peroxycarboxylic acids and derivatives
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • hydroperoxide
  • carboxylic acid derivative
  • peroxol
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • peroxycarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound