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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:48:03 UTC
Update Date2025-03-21 18:01:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00033830
Frequency107.0
Structure
Chemical FormulaC33H44N4O6
Molecular Mass592.3261
SMILESCCC1=C(C)C(=O)NC1Cc1[nH]c(C=C2N=C(CC3NC(=O)C(CC)C3C)C(C)=C2CCC(=O)O)c(CCC(=O)O)c1C
InChI KeyILTISEHJWPPWDH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass bilirubins
Direct Parent bilirubins
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • dipyrrins
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • lactams
  • metallotetrapyrroles
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • pyrrolidine-2-ones
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • ketimine
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • imine
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • dipyrrin
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • metallotetrapyrrole skeleton
  • pyrrolidine
  • pyrrolidone
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • bilirubin skeleton
  • pyrrole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound