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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:38:54 UTC
Update Date2025-03-21 17:58:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00012954
Frequency348.2
Structure
Chemical FormulaC10H21N2O4+
Molecular Mass233.1496
SMILESC[N+](C)(C)CCOC(=O)CCC(N)C(=O)O
InChI KeyARQJLWIUQTZEID-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent glutamic acid and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyl cholines
  • alpha amino acids
  • amines
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • hydrocarbon derivatives
  • monoalkylamines
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • short-chain hydroxy acids and derivatives
  • tetraalkylammonium salts
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organic cation
  • organic salt
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • glutamic acid or derivatives
  • fatty acid ester
  • organic oxygen compound
  • carboxylic acid ester
  • acyl choline
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • amine
  • organooxygen compound