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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:50:26 UTC
Update Date2025-03-25 01:12:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02316944
Frequency0.5
Structure
Chemical FormulaC43H48N6O14
Molecular Mass872.3228
SMILESCC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CC(=O)O)c5CCC(=O)O)C(CCC(=O)O)=C4CC(=O)O)c(CCCC(N)C(=O)O)c3CCC(N)C(=O)O
InChI KeyOOOOKTCQWZDMAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrapyrroles and derivatives
Subclass metallotetrapyrroles
Direct Parent metallotetrapyrroles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • heteroaromatic compound
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • metallotetrapyrrole skeleton
  • organooxygen compound