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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:37:57 UTC
Update Date2025-03-24 20:24:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01437988
Frequency0.9
Structure
Chemical FormulaC52H64N6O11
Molecular Mass948.4633
SMILESCCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2c3[nH]c(c2CCC(=O)O)Cc2[nH]c(c(CCC(=O)O)c2C)Cc2[nH]c(c(CCC(=O)O)c2C)Cc2[nH]c(c(CCC(=O)O)c2C)C3)c(CCC(=O)O)c1C
InChI KeyOEXIJYJDKXARFL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metalloporphyrins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pentacarboxylic acids and derivatives
  • porphyrins
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • porphyrin
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • pentacarboxylic acid or derivatives
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • metalloporphyrin