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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:34 UTC
Update Date2025-03-25 00:51:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188944
Frequency0.5
Structure
Chemical FormulaC7H15NO4
Molecular Mass177.1001
SMILESCC(O)C1OC(O)(CN)CC1O
InChI KeyDKJQSTRNTMJUHK-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
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • tetrahydrofuran
  • monosaccharide
  • oxacycle
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound