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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:45 UTC
Update Date2025-03-25 00:47:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161848
Frequency0.5
Structure
Chemical FormulaC26H34N4O4
Molecular Mass466.258
SMILESC=CC1=C(C)C(=C2N=C(CC3NC(=O)C(CC)=C3C)C(C)=C2CCCCC(N)C(=O)O)NC1=O
InChI KeyQKOONGFTFJMKSD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino fatty acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • fatty acyls
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • ketimines
  • lactams
  • medium-chain fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • ketimine
  • carbonyl group
  • lactam
  • carboxylic acid
  • heterocyclic fatty acid
  • imine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • organoheterocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • carboxamide group
  • amino fatty acid
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound