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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:12 UTC
Update Date2025-03-25 00:49:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172060
Frequency0.5
Structure
Chemical FormulaC11H21N3O5
Molecular Mass275.1481
SMILESCNC(CC(=O)O)C(=O)NCCCCC(N)C(=O)O
InChI KeyHIMVEVIAGGCSTD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent aspartic acid and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acid amides
  • alpha amino acids
  • amino acids
  • amino fatty acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monoalkylamines
  • 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
  • fatty acid
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • secondary aliphatic amine
  • alpha-amino acid amide
  • secondary amine
  • carboxamide group
  • amino fatty acid
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • aspartic acid or derivatives
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amine