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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:10 UTC
Update Date2025-03-25 00:58:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233658
Frequency0.5
Structure
Chemical FormulaC8H17N3O5
Molecular Mass235.1168
SMILESNC(=O)C(N)CNC1OC(CO)C(O)C1O
InChI KeyHHVZMKBDMLVMJH-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 heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • hemiaminals
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • primary carboxylic acid amides
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • primary carboxylic acid amide
  • carbonyl group
  • monosaccharide
  • alpha-amino acid or derivatives
  • hemiaminal
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • secondary aliphatic amine
  • tetrahydrofuran
  • secondary amine
  • carboxamide group
  • beta amino acid or derivatives
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amine