Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:34:55 UTC
Update Date2025-03-24 14:29:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00854806
Frequency1.7
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC1(O)C2CC(CO2)C1O
InChI KeyMOWSVNGVBUUKMO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • tertiary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • monosaccharide
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • tertiary alcohol
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound
  • 1,2-diol