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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:35 UTC
Update Date2025-03-25 01:00:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241460
Frequency0.5
Structure
Chemical FormulaC12H25N3O4
Molecular Mass275.1845
SMILESCC(O)C(N)C(=O)N1CCN(CCOCCO)CC1
InChI KeyWEXKKCDFSOSHLN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkylamines
  • n-alkylpiperazines
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • tertiary carboxylic acid amides
  • trialkylamines
    • Substituents
  • carbonyl group
  • ether
  • dialkyl ether
  • organic oxide
  • piperazine
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • alpha-amino acid amide
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • carboxamide group
  • organic oxygen compound
  • 1,4-diazinane
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • amine
  • organooxygen compound