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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:55 UTC
Update Date2025-03-21 18:04:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00050303
Frequency65.3
Structure
Chemical FormulaC20H27N7O3
Molecular Mass413.2175
SMILESCCN(CC)CCOC(=O)c1ccc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)cc1
InChI KeyPIFAACIFQXWKIW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pterins and derivatives
Direct Parent pterins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • benzoic acid esters
  • benzoyl derivatives
  • carboxylic acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • phenylalkylamines
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • pyrimidones
  • secondary alkylarylamines
  • trialkylamines
  • vinylogous amides
    • Substituents
  • ketimine
  • monocyclic benzene moiety
  • amino acid or derivatives
  • imine
  • benzoyl
  • pyrimidone
  • benzoate ester
  • carboxylic acid derivative
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • benzoic acid or derivatives
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound