Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:58 UTC
Update Date2025-03-25 00:49:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176132
Frequency0.5
Structure
Chemical FormulaC5H12NO3+
Molecular Mass134.0812
SMILESC[N+](C)(C)C(=O)C(O)O
InChI KeyDLSXUWMTLXLBGS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent cholines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carbonyl hydrates
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carbonyl hydrate
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • choline
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organooxygen compound