Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:19:09 UTC
Update Date2025-03-21 18:35:59 UTC
HMDB IDHMDB0001345
Metabolite Identification
DeepMet IDDMID00108271
Name4-Trimethylammoniobutanal
Frequency24.8
Structure
Chemical FormulaC7H16NO+
Molecular Mass130.1226
SMILESC[N+](C)(C)CCCC=O
InChI KeyOITBLCDWXSXNCN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-hydrogen aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amines
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • aliphatic acyclic compound
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • organic oxide
  • alpha-hydrogen aldehyde
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine