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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:34:34 UTC
Update Date2025-03-21 17:56:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00002777
Frequency2145.0
Structure
Chemical FormulaC7H17N2O2+
Molecular Mass161.1285
SMILESC[N+](C)(C)CCC(N)C(=O)O
InChI KeyMKLUZCWYMJAYHA-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amines
  • carbonyl compounds
  • carboxylic acids
  • fatty acids and conjugates
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • fatty acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound