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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:44 UTC
Update Date2025-03-25 00:48:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168713
Frequency0.5
Structure
Chemical FormulaC9H20N2O2
Molecular Mass188.1525
SMILESCC(C)C(=O)NCC(O)CN(C)C
InChI KeyNBRRMKUKMGPPCL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent secondary carboxylic acid amides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • amino acids and derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • trialkylamines
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • 1,2-aminoalcohol
  • amino acid or derivatives
  • tertiary aliphatic amine
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound