Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:52 UTC
Update Date2025-03-25 00:52:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194060
Frequency0.5
Structure
Chemical FormulaC12H23NO6
Molecular Mass277.1525
SMILESCN1CCCC1COC1(CO)OC(CO)C(O)C1O
InChI KeyQWSXAHOCIOWYAI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • monosaccharides
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
  • trialkylamines
  • Substituents
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • tetrahydrofuran
  • tertiary aliphatic amine
  • monosaccharide
  • oxacycle
  • saccharide
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • primary alcohol
  • amine
  • tertiary amine
  • organoheterocyclic compound