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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:59 UTC
Update Date2025-03-25 01:02:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253855
Frequency0.5
Structure
Chemical FormulaC7H11N5O
Molecular Mass181.0964
SMILESCC(C)Nc1ncnc(N)c1N=O
InChI KeyZGMRYCUBKLOABQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • c-nitroso compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • pyrimidines and pyrimidine derivatives
    • Substituents
  • organic nitroso compound
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • c-nitroso compound
  • hydrocarbon derivative
  • primary amine
  • imidolactam
  • organoheterocyclic compound