Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:59:02 UTC
Update Date2025-03-21 18:05:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00059871
Frequency52.4
Structure
Chemical FormulaC10H22NO2+
Molecular Mass188.1645
SMILESCCCCCOC(=O)C[N+](C)(C)C
InChI KeyBVWXNAMCICRDQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • amines
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • tetraalkylammonium salt
  • alpha-amino acid ester
  • quaternary ammonium salt
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound