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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:48:17 UTC
Update Date2025-03-21 18:01:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00034415
Frequency104.5
Structure
Chemical FormulaC14H23N7O3
Molecular Mass337.1862
SMILESNc1nc(=O)c2c([nH]1)NCC(N1CCN(CCOCCO)CC1)=N2
InChI KeyVTBTWMIEUDKZSW-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
  • alcohols and polyols
  • amidines
  • azacyclic compounds
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • n-alkylpiperazines
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • pyrimidones
  • secondary alkylarylamines
  • trialkylamines
  • vinylogous amides
    • Substituents
  • ether
  • pyrimidone
  • amidine
  • dialkyl ether
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • tertiary amine
  • alcohol
  • vinylogous amide
  • pterin
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • 1,4-diazinane
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound