Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:35:17 UTC
Update Date2025-03-24 20:23:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01431846
Frequency0.9
Structure
Chemical FormulaC4H7NO
Molecular Mass85.0528
SMILESCC(N)=CC=O
InChI KeyJLIDPRFIBGNRGS-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
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • vinylogous amide
  • aliphatic acyclic compound
  • carbonyl group
  • aldehyde
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound