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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:11 UTC
Update Date2025-03-25 00:46:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156212
Frequency0.5
Structure
Chemical FormulaC26H36N4O7
Molecular Mass516.2584
SMILESCc1c(CCC(=O)O)[nH]c(Cc2[nH]c(CC3NCC(C)C(=O)N3)c(C)c2CCC(=O)O)c1CCC(=O)O
InChI KeyPHNCVHMATSARJP-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
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • diazinanes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organopnictogen compounds
  • pyrroles
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • tricarboxylic acid or derivatives
  • 1,3-diazinane
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine