Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:57 UTC
Update Date2025-03-25 00:53:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198841
Frequency0.5
Structure
Chemical FormulaC8H18NO3+
Molecular Mass176.1281
SMILESCCOC(C[N+](C)(C)C)C(=O)O
InChI KeyHAMNTAUSZPOTHP-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent tetraalkylammonium salts
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amines
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • ether
  • carboxylic acid
  • tetraalkylammonium salt
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • amine
  • organooxygen compound