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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:34 UTC
Update Date2025-03-25 01:01:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250715
Frequency0.5
Structure
Chemical FormulaC9H13NO4
Molecular Mass199.0845
SMILESO=C(O)CC1CN2CCC1C2C(=O)O
InChI KeySTHMZSNSNBBJTF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • piperidines
  • pyrrolidine carboxylic acids
  • trialkylamines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid
  • aliphatic heteropolycyclic compound
  • organic oxide
  • pyrrolidine carboxylic acid
  • alpha-amino acid
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound