Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:56:01 UTC
Update Date2025-03-25 00:30:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02052608
Frequency0.6
Structure
Chemical FormulaC5H10O4
Molecular Mass134.0579
SMILESCC(=O)OC(C)(O)CO
InChI KeyPRTUPVKJVURVRV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent hemiketals
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • hemiketal
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • hydrocarbon derivative