Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:21:02 UTC
Update Date2025-03-21 22:16:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00534994
Frequency3.1
Structure
Chemical FormulaC5H8O3
Molecular Mass116.0473
SMILESOC1C2COC1CO2
InChI KeyTWAUQACUGRGKAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,4-dioxanes
Direct Parent 1,4-dioxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • monosaccharide
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • saccharide
  • organic oxygen compound
  • para-dioxane
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound