Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:25:15 UTC
Update Date2025-03-24 20:19:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01407512
Frequency0.9
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESO=C1CCC2(N1)OCCO2
InChI KeyITTHVOZMSOJDKO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorthocarboxylic acid derivatives
Subclass carboxylic acid amide acetals
Direct Parent carboxylic acid amide acetals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
  • Substituents
  • 2-pyrrolidone
  • meta-dioxolane
  • carbonyl group
  • lactam
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • amide acetal
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • organooxygen compound