Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:24:05 UTC
Update Date2025-03-21 20:54:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00400115
Frequency4.6
Structure
Chemical FormulaC5H7NO2
Molecular Mass113.0477
SMILESCC1=C(O)CNC1=O
InChI KeyRPFGDAVXGKFDMT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkanolamines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • vinylogous acids
  • Substituents
  • carbonyl group
  • lactam
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • vinylogous acid
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • alkanolamine