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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:00 UTC
Update Date2025-03-25 00:49:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171576
Frequency0.5
Structure
Chemical FormulaC10H17NO4
Molecular Mass215.1158
SMILESCN1C(C(=O)O)CC2CC(O)C(O)CC21
InChI KeyCYNHPXSAUZECMH-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
  • 1,2-diols
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • indoles
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • pyrrolidine carboxylic acids
  • secondary alcohols
  • trialkylamines
  • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid
  • indole
  • aliphatic heteropolycyclic compound
  • organic oxide
  • pyrrolidine carboxylic acid
  • alpha-amino acid
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • indole or derivatives
  • cyclic alcohol
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound