Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:50:16 UTC
Update Date2025-03-21 20:05:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00320204
Frequency6.1
Structure
Chemical FormulaC5H10O4
Molecular Mass134.0579
SMILESCC(O)COCC(=O)O
InChI KeyUMPBXBOLMWZWSS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • ether
  • carboxylic acid
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • monocarboxylic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative