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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:49 UTC
Update Date2025-03-25 00:54:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205400
Frequency0.5
Structure
Chemical FormulaC8H14N4O3
Molecular Mass214.1066
SMILESNC(N)=NCCCN1C(=O)CC(O)C1=O
InChI KeyOZRLRQHNGURLOU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent n-substituted carboxylic acid imides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • dicarboximides
  • guanidines
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolidine-2-ones
  • secondary alcohols
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • guanidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • dicarboximide
  • pyrrolidine
  • carboxylic acid imide, n-substituted
  • pyrrolidone
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • organic 1,3-dipolar compound
  • carboximidamide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound