Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:57:11 UTC
Update Date2025-03-21 22:02:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00478433
Frequency3.6
Structure
Chemical FormulaC5H5NO2
Molecular Mass111.032
SMILESCN1C=CC(=O)C1=O
InChI KeyCUSCAMUWVORCCB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids and derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • carbonyl group
  • lactam
  • azacycle
  • cyclic ketone
  • carboxamide group
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound