Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:58:21 UTC
Update Date2025-03-24 14:07:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00766454
Frequency2.0
Structure
Chemical FormulaC4H7N3O2
Molecular Mass129.0538
SMILESO=C(O)C1CCN=NN1
InChI KeyJLFRDGPHRDNDEU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2,3-triazines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • 1,2,3-triazine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • triazine
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound