Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:34 UTC
Update Date2025-03-21 18:39:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123627
Frequency20.8
Structure
Chemical FormulaC6H12O3
Molecular Mass132.0786
SMILESCCOC(CC)C(=O)O
InChI KeyJEPGPKGGSYXGKV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass short-chain hydroxy acids and derivatives
Direct Parent short-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • fatty acids and conjugates
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • ether
  • carboxylic acid
  • short-chain hydroxy acid
  • fatty acid
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound