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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:01 UTC
Update Date2025-03-21 18:35:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107954
Frequency24.9
Structure
Chemical FormulaC24H42N6O8+2
Molecular Mass542.3053
SMILESNC(CCCC[n+]1cc(CCC(N)C(=O)O)[n+](CCCCC(N)C(=O)O)cc1CCC(N)C(=O)O)C(=O)O
InChI KeyKQCDYVLBMJAOOU-UHFFFAOYSA-P
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tetracarboxylic acids and derivatives
Direct Parent tetracarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrazines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • tetracarboxylic acid or derivatives
  • alpha-amino acid or derivatives
  • organic oxide
  • organic oxygen compound
  • pyrazine
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation
  • organoheterocyclic compound
  • organooxygen compound