Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:41:43 UTC
Update Date2025-03-21 22:54:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00584440
Frequency2.8
Structure
Chemical FormulaC5H7NO2
Molecular Mass113.0477
SMILESCC(=O)NC(C)=C=O
InChI KeyLGRLDCOROJWHFC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent acetamides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • ynolates
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • ynolate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide
  • organooxygen compound