Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:44 UTC
Update Date2025-03-25 01:02:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253326
Frequency0.5
Structure
Chemical FormulaC8H13NO2
Molecular Mass155.0946
SMILESO=C(O)C1CNC2CCCC21
InChI KeyBYALHJIAFDBUMH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidine carboxylic acids and derivatives
Direct Parent pyrrolidine carboxylic acids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • amino acid or derivatives
  • amino acid
  • secondary amine
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine