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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:48 UTC
Update Date2025-03-21 18:02:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00038099
Frequency117.4
Structure
Chemical FormulaC7H13N3O2
Molecular Mass171.1008
SMILESCC(=O)C(=O)CCCN=C(N)N
InChI KeyDAROIJWZSFWXKP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-diketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • guanidine
  • organic 1,3-dipolar compound
  • carboximidamide
  • alpha-diketone
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound