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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:12 UTC
Update Date2025-03-25 00:48:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02167518
Frequency0.5
Structure
Chemical FormulaC10H18N2O5
Molecular Mass246.1216
SMILESCC(=O)NC1CC(O)C=NC1C(O)C(O)CO
InChI KeyMBZXAPKOCYJYQW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organopnictogen compounds
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • carbonyl group
  • azacycle
  • imine
  • tetrahydropyridine
  • organic 1,3-dipolar compound
  • carboxamide group
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • acetamide
  • organooxygen compound