Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:21 UTC
Update Date2025-03-21 18:37:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00113622
Frequency32.8
Structure
Chemical FormulaC5H7N3O2
Molecular Mass141.0538
SMILESO=C(O)CCc1c[nH]nn1
InChI KeyJYKLORHRQMBGDN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass triazoles
Direct Parent triazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • triazole
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,2,3-triazole
  • organooxygen compound