Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:35:44 UTC
Update Date2025-03-24 14:29:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00856693
Frequency1.7
Structure
Chemical FormulaC5H8N2O
Molecular Mass112.0637
SMILESNC(=O)N1CC=CC1
InChI KeyHVWACQIDTZQGBG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrroline carboxylic acids and derivatives
Direct Parent pyrroline carboxylic acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • carbonyl group
  • carbonic acid derivative
  • azacycle
  • pyrroline carboxylic acid or derivatives
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound