Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:53:04 UTC
Update Date2025-03-24 18:00:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01041553
Frequency1.3
Structure
Chemical FormulaC4H8N2O2
Molecular Mass116.0586
SMILESCC(O)C(=O)NC=N
InChI KeyURKZOSQVVXEYRW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • imine
  • carboximidamide
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound