Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:32:41 UTC
Update Date2025-03-25 00:19:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01282401
Frequency1.0
Structure
Chemical FormulaC4H3NO2
Molecular Mass97.0164
SMILESO=C1C=C(O)C=N1
InChI KeyUYLQZGQYVHRPKZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous acids
Subclass vinylogous acids
Direct Parent vinylogous acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acylimines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • n-acylimine
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • vinylogous acid
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound