Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:45:42 UTC
Update Date2025-03-21 22:56:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00594023
Frequency2.7
Structure
Chemical FormulaC4H12N2O
Molecular Mass104.095
SMILESC[N+](C)([O-])CCN
InChI KeyMGWACJBWTAFHOI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass aminoxides
Direct Parent trialkyl amine oxides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organic oxoanionic compounds
  • organopnictogen compounds
  • trisubstituted amine oxides and derivatives
  • Substituents
  • aliphatic acyclic compound
  • n-oxide
  • trialkyl amine oxide
  • organic oxide
  • organic oxygen compound
  • trisubstituted n-oxide
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic hyponitrite