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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:11 UTC
Update Date2025-03-21 18:38:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122807
Frequency34.2
Structure
Chemical FormulaC10H17NO3
Molecular Mass199.1208
SMILESCC=CC(=O)NC(CC(C)C)C(=O)O
InChI KeyWIWPULDJBDQLCJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent leucine and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • methyl-branched fatty acids
  • monocarboxylic acids and derivatives
  • n-acyl amines
  • n-acyl-alpha amino acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • methyl-branched fatty acid
  • n-acyl-alpha-amino acid
  • carboxamide group
  • branched fatty acid
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • leucine or derivatives
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • n-acyl-alpha amino acid or derivatives