Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:42:38 UTC
Update Date2025-03-24 14:32:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00872628
Frequency1.7
Structure
Chemical FormulaC4H9N2O2+
Molecular Mass117.0659
SMILESCNC(O)=C[N+](C)=O
InChI KeyGURGPQOURYDFRA-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoazanium compounds
Subclass organic oxoazanium compounds
Direct Parent organic oxoazanium compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkanolamines
  • aminoxides
  • dialkylamines
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • organic oxide
  • aminoxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic oxoazanium
  • organooxygen compound
  • amine
  • alkanolamine