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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:59 UTC
Update Date2025-03-25 00:50:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178501
Frequency0.5
Structure
Chemical FormulaC4H6N3O2+
Molecular Mass128.0455
SMILESCn1cnc([N+](=O)O)c1
InChI KeyMVQRJKITXYCAAA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent nitroimidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • n-substituted imidazoles
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • nitroaromatic compound
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • nitroimidazole
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • imidolactam
  • organic hyponitrite
  • n-substituted imidazole