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Record Information
HMDB Statuspredicted
Creation Date2024-02-21 00:20:06 UTC
Update Date2025-03-21 18:36:25 UTC
HMDB IDHMDB0241956
Metabolite Identification
DeepMet IDDMID00110602
NameN-Oleoyl Aspartic acid
Frequency24.1
Structure
Chemical FormulaC22H39NO5
Molecular Mass397.2828
SMILESCCCCCCCCC=CCCCCCCCC(=O)NC(CC(=O)O)C(=O)O
InChI KeyXFBKKGFUMFHHHK-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 acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon 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
  • n-acyl-alpha-amino acid
  • fatty amide
  • carboxamide group
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aspartic acid or derivatives
  • organonitrogen compound
  • alpha-amino acid
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • n-acyl-alpha amino acid or derivatives