Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:09:00 UTC
Update Date2025-03-24 19:55:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01078719
Frequency1.3
Structure
Chemical FormulaC4H6N2O
Molecular Mass98.048
SMILESNC(=O)C1CC=N1
InChI KeyCLNNRBVIXFGYOK-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
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organopnictogen compounds
  • primary carboxylic acid amides
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • primary carboxylic acid amide
  • carbonyl group
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • carboxamide group
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound