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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:30 UTC
Update Date2025-03-21 18:34:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101758
Frequency26.8
Structure
Chemical FormulaC27H36N4O7
Molecular Mass528.2584
SMILESCCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CN)c(CC(=O)O)c2CCC(=O)O)c(CCC(=O)O)c1C
InChI KeyGAOPJAVXEMQYNJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tricarboxylic acids and derivatives
Direct Parent tricarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • tricarboxylic acid or derivatives
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound