Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:27 UTC
Update Date2025-03-25 00:48:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170321
Frequency0.5
Structure
Chemical FormulaC33H68NO3+
Molecular Mass526.5194
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCOCC[N+](C)(C)C
InChI KeyCRKHNJKAKWFDSY-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
  • amines
  • carbonyl compounds
  • carboxylic acid esters
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • ether
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • carboxylic acid derivative
  • dialkyl ether
  • 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
  • amine
  • organooxygen compound