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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:11:52 UTC
Update Date2025-03-24 21:57:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01947237
Frequency0.6
Structure
Chemical FormulaC6H13NO
Molecular Mass115.0997
SMILESCCC1(O)CN(C)C1
InChI KeyIRPQYLGSGNRAAZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • azacyclic compounds
  • azetidines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • azacycle
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • azetidine
  • tertiary alcohol
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organoheterocyclic compound