Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:57:06 UTC
Update Date2025-03-21 18:05:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00055281
Frequency58.0
Structure
Chemical FormulaC6H13NO3
Molecular Mass147.0895
SMILESCC(=O)OCC[N+](C)(C)[O-]
InChI KeyDMCJSLBCXSILRH-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
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organopnictogen compounds
  • trisubstituted amine oxides and derivatives
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • n-oxide
  • trialkyl amine oxide
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • trisubstituted n-oxide
  • carboxylic acid ester
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound
  • organic hyponitrite