Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:03 UTC
Update Date2025-03-25 00:55:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02210665
Frequency0.5
Structure
Chemical FormulaC13H26NO2+
Molecular Mass228.1958
SMILESC=CCCCCCC(=O)OC(C)[N+](C)(C)C
InChI KeyCBWCHHCHEZMYMH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organonitrogen compounds
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • tetraalkylammonium salt
  • carboxylic acid derivative
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • organooxygen compound