Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:36:46 UTC
Update Date2025-03-24 14:30:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00859077
Frequency1.7
Structure
Chemical FormulaC6H7NO3
Molecular Mass141.0426
SMILESO=C1CC(C(=O)O)C=CN1
InChI KeyJHQFWDBRSAKXHG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • azacycle
  • tetrahydropyridine
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound