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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:10 UTC
Update Date2025-03-25 00:47:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162837
Frequency0.5
Structure
Chemical FormulaC38H43N5O7
Molecular Mass681.3162
SMILESC=CC1=C(C)C(=O)NC1=Cc1[nH]c(Cc2[nH]c(C=C3NC(=O)C(C)=C3C=C)c(C)c2CCC(=O)N2CCCC2C(=O)O)c(CCC(=O)O)c1C
InChI KeySRCZZKKTOMJFBD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • n-acyl-alpha amino acids
  • n-acylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • proline and derivatives
  • pyrroles
  • pyrrolidine carboxylic acids
  • pyrrolines
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
  • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • n-acylpyrrolidine
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • pyrrolidine carboxylic acid
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • metallotetrapyrrole skeleton
  • pyrrolidine
  • n-acyl-alpha amino acid or derivatives
  • proline or derivatives
  • azacycle
  • n-acyl-alpha-amino acid
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound