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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:48 UTC
Update Date2025-03-21 18:41:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00133614
Frequency18.9
Structure
Chemical FormulaC15H25N4O6+
Molecular Mass357.1769
SMILESNc1c(O)c[n+](CC(O)CCC(N)C(=O)O)cc1CCC(N)C(=O)O
InChI KeyZDUNSMZQNSBQOR-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • amino fatty acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • hydroxypyridines
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monoalkylamines
  • organic cations
  • organic oxides
  • organopnictogen compounds
  • polyhalopyridines
  • secondary alcohols
  • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid
  • heterocyclic fatty acid
  • polyhalopyridine
  • fatty acid
  • medium-chain hydroxy acid
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organic cation
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • amino fatty acid
  • pyridine
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound