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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:37 UTC
Update Date2025-03-25 00:51:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184423
Frequency0.5
Structure
Chemical FormulaC9H16N4O2
Molecular Mass212.1273
SMILESNC(N)=NCCCC(=O)C1CCC(=O)N1
InChI KeyYRUZGUHEUASUEM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-2-ones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • guanidines
  • hydrocarbon derivatives
  • ketones
  • lactams
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • azacycle
  • guanidine
  • organic 1,3-dipolar compound
  • carboximidamide
  • carboxamide group
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound