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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:17 UTC
Update Date2025-03-25 00:45:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151783
Frequency0.5
Structure
Chemical FormulaC8H16N2O4
Molecular Mass204.111
SMILESNC(CCC(=O)O)CC(=O)NCCO
InChI KeyFLDGCFAIAWYUJW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkanolamines
  • amino fatty acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl amines
  • n-acylethanolamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty amide
  • fatty acid
  • medium-chain hydroxy acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • alkanolamine
  • alcohol
  • carboxamide group
  • n-acylethanolamine
  • amino fatty acid
  • n-acyl-amine
  • beta amino acid or derivatives
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound