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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:32 UTC
Update Date2025-03-21 18:40:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130710
Frequency19.4
Structure
Chemical FormulaC9H18N2O3
Molecular Mass202.1317
SMILESCNC(CC(C)C)C(=O)NCC(=O)O
InChI KeyHWKNUXAAHLGUKW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent acyl glycines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acid amides
  • alpha amino acids
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • dipeptides
  • hydrocarbon derivatives
  • leucine and derivatives
  • monocarboxylic acids and derivatives
  • n-acyl amines
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • amino acid
  • fatty amide
  • alpha peptide
  • organic oxide
  • leucine or derivatives
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • secondary aliphatic amine
  • alpha-amino acid amide
  • secondary amine
  • carboxamide group
  • n-acyl-amine
  • n-acylglycine
  • alpha-dipeptide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine