Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:08:28 UTC
Update Date2025-03-25 01:19:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02358571
Frequency0.5
Structure
Chemical FormulaC6H12O3
Molecular Mass132.0786
SMILESCC(CO)C1(O)COC1
InChI KeyLMHGHYLVOPBMCE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxetanes
  • primary alcohols
  • Substituents
  • ether
  • dialkyl ether
  • oxacycle
  • tertiary alcohol
  • oxetane
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • primary alcohol
  • organoheterocyclic compound