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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:18 UTC
Update Date2025-03-21 18:39:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125376
Frequency20.5
Structure
Chemical FormulaC10H17NO4
Molecular Mass215.1158
SMILESCC(C)C(NC(=O)C1CCCO1)C(=O)O
InChI KeyHCGFNBHOKWUHOE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent n-acyl-alpha amino acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • methyl-branched fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
  • short-chain hydroxy acids and derivatives
  • tetrahydrofurans
  • valine and derivatives
  • Substituents
  • fatty acyl
  • carbonyl group
  • ether
  • carboxylic acid
  • short-chain hydroxy acid
  • heterocyclic fatty acid
  • fatty acid
  • dialkyl ether
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • methyl-branched fatty acid
  • n-acyl-alpha-amino acid
  • tetrahydrofuran
  • valine or derivatives
  • carboxamide group
  • branched fatty acid
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound