Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:19 UTC
Update Date2025-03-25 00:51:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188358
Frequency0.5
Structure
Chemical FormulaC16H27N2O2+
Molecular Mass279.2067
SMILESCC(O)C(Cc1ccccc1)NC(=O)C(C)[N+](C)(C)C
InChI KeyVBJFGPPIFVEMMS-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alanine and derivatives
  • alpha amino acids
  • amines
  • amphetamines and derivatives
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetraalkylammonium salts
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organic cation
  • organic salt
  • amphetamine or derivatives
  • alcohol
  • alpha-amino acid amide
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • carboxamide group
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • alanine or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound