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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:00:28 UTC
Update Date2025-03-21 22:03:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00486230
Frequency3.5
Structure
Chemical FormulaC6H13N2O+
Molecular Mass129.1022
SMILESC[N+]1(C)CCCNC1=O
InChI KeyKUMZZZGGGSTIIK-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • diazinanes
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • carbonic acid derivative
  • azacycle
  • pyrimidone
  • 1,3-diazinane
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound