Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:55:18 UTC
Update Date2025-03-21 23:00:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00616615
Frequency2.6
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESOC1CC(O)C2CCC1O2
InChI KeyAAPRYBXPSNOTDR-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
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • monosaccharide
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound