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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:25:52 UTC
Update Date2025-03-24 20:45:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01552572
Frequency0.8
Structure
Chemical FormulaC6H15NO2
Molecular Mass133.1103
SMILESCC(O)CNC(C)CO
InChI KeyKNMBQWZVFYSZCC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary alcohols
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • amine