Hmdb loader

Showing information for DMID02178259

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:52 UTC
Update Date2025-03-25 00:50:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178259
Frequency0.5
Structure
Chemical FormulaC9H15NO3
Molecular Mass185.1052
SMILESCOC(=O)C1(O)CC2CCCN2C1
InChI KeyKHRNKAOFPFMSKP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolizidines
Subclass pyrrolizidines
Direct Parent pyrrolizidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • pyrrolidine carboxylic acids
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • carbonyl group
  • amino acid or derivatives
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • methyl ester
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • pyrrolizidine
  • organic nitrogen compound
  • amine
  • organooxygen compound