Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:32:24 UTC
Update Date2025-03-24 21:13:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01711790
Frequency0.7
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESNC1CCC(C(=O)O)=C1O
InChI KeyXYYBKVJTMPSCKG-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
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • vinylogous acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound