Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:51 UTC
Update Date2025-03-25 00:50:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180456
Frequency0.5
Structure
Chemical FormulaC7H17N2O2+
Molecular Mass161.1285
SMILESC[N+](C)(C)C(O)CC(=O)CN
InChI KeyRQJILHXFCLZNIX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-hydroxy ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hemiaminals
  • hydrocarbon derivatives
  • monoalkylamines
  • organic cations
  • organic oxides
  • organic salts
  • organonitrogen compounds
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • tetraalkylammonium salt
  • hemiaminal
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation
  • organic salt
  • alkanolamine