Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:33 UTC
Update Date2025-03-25 00:57:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227819
Frequency0.5
Structure
Chemical FormulaC8H16NO3+
Molecular Mass174.1125
SMILESCC(=O)C1C(O)C(O)C[N+]1(C)C
InChI KeyQXOXTKJOCUBZPU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1,2-diols
  • alpha-amino ketones
  • amines
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • secondary alcohols
  • tetraalkylammonium salts
  • Substituents
  • carbonyl group
  • ketone
  • organic oxide
  • alpha-aminoketone
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • 1,2-diol
  • alcohol
  • tetraalkylammonium salt
  • azacycle
  • n-alkylpyrrolidine
  • 1,2-aminoalcohol
  • quaternary ammonium salt
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound