Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:55:10 UTC
Update Date2025-03-21 18:04:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00050860
Frequency64.4
Structure
Chemical FormulaC6H12O3
Molecular Mass132.0786
SMILESCC1COC(C)(CO)O1
InChI KeyYYMZBDSPZJJXJM-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
  • alcohols and polyols
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • alcohol
  • oxacycle
  • meta-dioxolane
  • ketal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound