Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:47 UTC
Update Date2025-03-21 18:35:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107378
Frequency25.0
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESCN1CCC(=O)C1C(=O)O
InChI KeyBBTAUAUGJGBZPP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent proline and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alpha amino acids
  • amino acids
  • azacyclic compounds
  • carboxylic acids
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • oxoprolines
  • pyrrolidine carboxylic acids
  • pyrrolidine-3-ones
  • trialkylamines
  • Substituents
  • carbonyl group
  • carboxylic acid
  • 3-pyrrolidone
  • amino acid
  • cyclic ketone
  • ketone
  • organic oxide
  • pyrrolidine carboxylic acid
  • aliphatic heteromonocyclic compound
  • alpha-amino acid
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • tertiary amine
  • organoheterocyclic compound
  • proline or derivatives
  • oxoproline
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • amine
  • organooxygen compound