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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:43 UTC
Update Date2025-03-25 00:45:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150464
Frequency0.5
Structure
Chemical FormulaC9H16N2O4
Molecular Mass216.111
SMILESCC1(O)CCN(C(=O)C(N)CC(=O)O)C1
InChI KeyUOSCCINGMVRBCR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • short-chain hydroxy acids and derivatives
  • tertiary alcohols
  • tertiary carboxylic acid amides
  • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • heterocyclic fatty acid
  • n-acylpyrrolidine
  • fatty acid
  • organic oxide
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydroxy fatty acid
  • pyrrolidine
  • organoheterocyclic compound
  • alcohol
  • alpha-amino acid amide
  • azacycle
  • carboxamide group
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound