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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:11 UTC
Update Date2025-03-25 00:52:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02197038
Frequency0.5
Structure
Chemical FormulaC29H39N5O6
Molecular Mass553.29
SMILESCCC1C(=O)NC(Cc2[nH]c(Cc3[nH]c(CC4=NCC(=O)N4)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)C1C
InChI KeyIDAKEKDHTFEYTL-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 aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazolinones
  • lactams
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • imidazolinone
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboximidamide
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • 2-imidazoline
  • imidazoline
  • pyrrole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound