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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:50:21 UTC
Update Date2025-03-25 01:35:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02456304
Frequency0.5
Structure
Chemical FormulaC6H12N2O
Molecular Mass128.095
SMILESCC(O)C1CN=CNC1
InChI KeyLXLHGPYXQLJWJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent hydropyrimidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboximidamides
  • formamidines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • 1,4,5,6-tetrahydropyrimidine
  • alcohol
  • azacycle
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • formamidine
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • hydropyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound