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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:09 UTC
Update Date2025-03-25 00:54:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206159
Frequency0.5
Structure
Chemical FormulaC7H7N5O
Molecular Mass177.0651
SMILESNC(=O)c1[nH]cc2c(N)ncnc12
InChI KeyPMLPNYMNRCWUHH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrimidines
Subclass pyrrolopyrimidines
Direct Parent pyrrolopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-heteroaryl carboxamides
  • amino acids and derivatives
  • azacyclic compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • primary carboxylic acid amides
  • pyrimidines and pyrimidine derivatives
  • pyrrole carboxamides
    • Substituents
  • primary carboxylic acid amide
  • amino acid or derivatives
  • carboxylic acid derivative
  • 2-heteroaryl carboxamide
  • pyrimidine
  • pyrrolopyrimidine
  • organic oxide
  • pyrrole-2-carboxylic acid or derivatives
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrole-2-carboxamide
  • imidolactam
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound