Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:31:32 UTC
Update Date2025-03-21 19:21:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00277345
Frequency7.3
Structure
Chemical FormulaC6H9NO2
Molecular Mass127.0633
SMILESO=C(O)C1NCC2CC21
InChI KeyJBDOTWVUXVXVDR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent bicyclic amino acids and derivatives
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • piperidinecarboxylic acids
  • piperidines
  • pyrrolidine carboxylic acids
  • Substituents
  • bicyclic amino acid
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • piperidinecarboxylic acid
  • pyrrolidine
  • piperidine
  • organoheterocyclic compound
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine