Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:05 UTC
Update Date2025-03-25 01:00:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242613
Frequency0.5
Structure
Chemical FormulaC9H20NO2+
Molecular Mass174.1489
SMILESCC(=O)CC(O)CC[N+](C)(C)C
InChI KeyNZNHJBARHXVQBF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-hydroxy ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • amines
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • secondary alcohols
  • tetraalkylammonium salts
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • 1,3-aminoalcohol
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • organic oxide
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine