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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:55:41 UTC
Update Date2025-03-24 14:06:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00760230
Frequency2.0
Structure
Chemical FormulaC8H17NO
Molecular Mass143.131
SMILESCN1CCC(C(C)(C)O)C1
InChI KeyPBSSDYYWQILZHQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • azacyclic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • alcohol
  • 1,3-aminoalcohol
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • tertiary alcohol
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound