Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:07:10 UTC
Update Date2025-03-24 21:55:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01936458
Frequency0.6
Structure
Chemical FormulaC5H8O4
Molecular Mass132.0423
SMILESCC1(C)OC(=O)C(O)O1
InChI KeyLTZWSNRUIPEZTM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • carbonyl compounds
  • carboxylic acid esters
  • hemiacetals
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • meta-dioxolane
  • carbonyl group
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • ketal
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • hydrocarbon derivative
  • organoheterocyclic compound