Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:42 UTC
Update Date2025-03-25 00:54:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205145
Frequency0.5
Structure
Chemical FormulaC5H7NO3
Molecular Mass129.0426
SMILESNC1CC(O)=C(O)C1=O
InChI KeyMCUWOXHUGRTMQJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous acids
Subclass vinylogous acids
Direct Parent vinylogous acids
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • cyclic ketone
  • ketone
  • vinylogous acid
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound