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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:23:20 UTC
Update Date2025-03-25 01:49:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02533042
Frequency0.5
Structure
Chemical FormulaC6H11N3O
Molecular Mass141.0902
SMILESNCC1CC2CNC(=O)N12
InChI KeyKIWWCTBOEFWCAW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepanes
Subclass 1,3-diazepanes
Direct Parent 1,3-diazepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • azetidines
  • carbonyl compounds
  • hydrocarbon derivatives
  • imidazolidinones
  • monoalkylamines
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • imidazolidine
  • 1,3-diazepane
  • carbonyl group
  • carbonic acid derivative
  • azacycle
  • azetidine
  • aliphatic heteropolycyclic compound
  • imidazolidinone
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound