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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:25 UTC
Update Date2025-03-25 00:59:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02238778
Frequency0.5
Structure
Chemical FormulaC8H13N3O5
Molecular Mass231.0855
SMILESNC(=O)CC(N)C(=O)N1CCC(C(=O)O)O1
InChI KeyGDMYPXIDSBCSDB-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
  • fatty amides
  • hydrocarbon derivatives
  • isoxazolidines
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • fatty amide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • alpha-amino acid amide
  • azacycle
  • isoxazolidine
  • carboxamide group
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound