Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:17:43 UTC
Update Date2025-03-25 00:38:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02103983
Frequency0.6
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESO=C=C(O)CCCNC=O
InChI KeyVRUYXUPIYOSRFG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent secondary carboxylic acid amides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • 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
  • organooxygen compound