Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:13:40 UTC
Update Date2025-03-24 22:40:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01236813
Frequency1.1
Structure
Chemical FormulaC6H12O3
Molecular Mass132.0786
SMILESCC1(C)OC1C(O)CO
InChI KeyGPMVPQUJXHQILK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent 1,2-diols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • Substituents
  • ether
  • oxirane
  • dialkyl ether
  • oxacycle
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary alcohol
  • organoheterocyclic compound
  • 1,2-diol