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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:45:40 UTC
Update Date2025-03-24 22:12:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02028101
Frequency0.6
Structure
Chemical FormulaC5H8N2O
Molecular Mass112.0637
SMILESO=C1CCCN=CN1
InChI KeyUNDKRDVYCRYIOW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepines
Subclass 1,3-diazepines
Direct Parent 1,3-diazepines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • meta-diazepine
  • carbonyl group
  • azacycle
  • organic 1,3-dipolar compound
  • carboximidamide
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound