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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:05 UTC
Update Date2025-03-25 00:52:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194523
Frequency0.5
Structure
Chemical FormulaC16H34NO3+
Molecular Mass288.2533
SMILESCCCCCCCCCOC(CC(=O)O)C[N+](C)(C)C
InChI KeyJEPGYGSHVZPIDA-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass short-chain hydroxy acids and derivatives
Direct Parent short-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amines
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • fatty acids and conjugates
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • ether
  • carboxylic acid
  • short-chain hydroxy acid
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • fatty acid
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound