Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:19 UTC
Update Date2025-03-25 00:49:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172322
Frequency0.5
Structure
Chemical FormulaC9H18O4
Molecular Mass190.1205
SMILESCCC1OC(CO)C(O)CC1(C)O
InChI KeyVLBAGXNCXBUQOY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tertiary alcohols
  • Substituents
  • alcohol
  • ether
  • monosaccharide
  • dialkyl ether
  • oxacycle
  • tertiary alcohol
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound