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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:24 UTC
Update Date2025-03-25 01:01:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02252609
Frequency0.5
Structure
Chemical FormulaC6H13N3O3
Molecular Mass175.0957
SMILESNC(=O)NCCC(=O)NCCO
InChI KeyNYSFNYDTYFINHY-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
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acylethanolamines
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carbonic acid derivative
  • carboxamide group
  • n-acylethanolamine
  • beta amino acid or derivatives
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • alkanolamine