Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:25 UTC
Update Date2025-03-25 00:52:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195295
Frequency0.5
Structure
Chemical FormulaC9H16O3
Molecular Mass172.1099
SMILESCC1CCC(CO)(C(=O)O)CC1
InChI KeyXMCLZDSHTLFFLF-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 homomonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound