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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:55 UTC
Update Date2025-03-25 00:56:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217310
Frequency0.5
Structure
Chemical FormulaC36H52N4O7
Molecular Mass652.3836
SMILESCCCCC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(CC)C4C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1C(=O)O
InChI KeyGLGSIBPKNKEOKZ-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
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine-2-ones
  • pyrroline 2-carboxylic acids
  • secondary carboxylic acid amides
  • tricarboxylic acids and derivatives
  • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • tricarboxylic acid or derivatives
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • metallotetrapyrrole skeleton
  • pyrrolidine
  • pyrrolidone
  • secondary aliphatic amine
  • azacycle
  • pyrroline carboxylic acid or derivatives
  • heteroaromatic compound
  • secondary amine
  • carboxamide group
  • pyrroline 2-carboxylic acid
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • pyrroline carboxylic acid
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine