Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:45:31 UTC
Update Date2025-03-21 22:56:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00593613
Frequency2.7
Structure
Chemical FormulaC4H8N2O
Molecular Mass100.0637
SMILESNC(=O)C1CNC1
InChI KeyVALZSZJVEFACEZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • azetidines
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • secondary aliphatic amine
  • carbonyl group
  • azacycle
  • secondary amine
  • carboxamide group
  • beta amino acid or derivatives
  • azetidine
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound
  • amine