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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:48 UTC
Update Date2025-03-25 00:47:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164233
Frequency0.5
Structure
Chemical FormulaC9H17NO3
Molecular Mass187.1208
SMILESCC(O)C(=O)C(O)C1CCCN1C
InChI KeyLLNOMRNNBLTHPY-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
  • acyloins
  • alpha-hydroxy ketones
  • azacyclic compounds
  • beta-amino ketones
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
    • Substituents
  • carbonyl group
  • monosaccharide
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • beta-aminoketone
  • pyrrolidine
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine