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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:39 UTC
Update Date2025-03-25 00:54:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209675
Frequency0.5
Structure
Chemical FormulaC8H15N3O5
Molecular Mass233.1012
SMILESCC(O)C(=O)C(N)NC(CC(N)=O)C(=O)O
InChI KeyYSAJMYOUWFPURX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent asparagine and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyloins
  • alpha amino acids
  • alpha-hydroxy ketones
  • amino acids
  • carboxylic acids
  • dialkylamines
  • fatty amides
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • primary carboxylic acid amides
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
  • Substituents
  • primary carboxylic acid amide
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • amino acid
  • fatty amide
  • monosaccharide
  • fatty acid
  • alpha-hydroxy ketone
  • ketone
  • saccharide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydroxy fatty acid
  • asparagine or derivatives
  • alcohol
  • secondary aliphatic amine
  • secondary amine
  • carboxamide group
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amine