Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:25:51 UTC
Update Date2025-03-24 20:45:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01552537
Frequency0.8
Structure
Chemical FormulaC4H8N2O
Molecular Mass100.0637
SMILESCC(N)=CC(N)=O
InChI KeyUAUSQEVPWPGBHG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous amides
Subclass vinylogous amides
Direct Parent vinylogous amides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • vinylogous amide
  • aliphatic acyclic compound
  • carbonyl group
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound