Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:43:30 UTC
Update Date2025-03-24 21:45:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01880571
Frequency0.6
Structure
Chemical FormulaC3H5NO2
Molecular Mass87.032
SMILESNC(O)=CC=O
InChI KeyKSJPWANEMXTYER-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
  • aldehydes
  • alkanolamines
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • vinylogous acids
  • Substituents
  • vinylogous amide
  • aliphatic acyclic compound
  • carbonyl group
  • aldehyde
  • vinylogous acid
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • alkanolamine