Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:57:28 UTC
Update Date2025-03-24 22:26:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01196405
Frequency1.1
Structure
Chemical FormulaC7H11NO2
Molecular Mass141.079
SMILESCC1=C(CCO)C(=O)NC1
InChI KeyCTBNDKIUOGISBR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • alcohol
  • carbonyl group
  • lactam
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound