Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:45:50 UTC
Update Date2025-03-21 18:00:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00028610
Frequency131.4
Structure
Chemical FormulaC4H11NO2
Molecular Mass105.079
SMILESC[N+](C)([O-])CCO
InChI KeyDSPZBSQDLWRRBL-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
  • alcohols and polyols
  • alkanolamines
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organopnictogen compounds
  • trisubstituted amine oxides and derivatives
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • n-oxide
  • trialkyl amine oxide
  • organic oxide
  • organic oxygen compound
  • trisubstituted n-oxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound
  • organic hyponitrite
  • alkanolamine