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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:20 UTC
Update Date2025-03-21 18:39:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00127846
Frequency20.0
Structure
Chemical FormulaC27H45N6O10+
Molecular Mass613.3192
SMILESNC(CCCC[n+]1c(CCCC(N)C(=O)O)c(CCC(N)C(=O)O)cc(CCC(N)C(=O)O)c1CC(N)C(=O)O)C(=O)O
InChI KeyHMQOKWWIKHFJQG-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass pentacarboxylic acids and derivatives
Direct Parent pentacarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monoalkylamines
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • alpha-amino acid or derivatives
  • pentacarboxylic acid or derivatives
  • organic oxide
  • pyridine
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • 2-halopyridine
  • organic nitrogen compound
  • organic cation
  • organoheterocyclic compound
  • organooxygen compound