Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:46:50 UTC
Update Date2025-03-24 17:58:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01026530
Frequency1.4
Structure
Chemical FormulaC4H8NO3+
Molecular Mass118.0499
SMILESCC(=O)OC[N+](C)=O
InChI KeyCRXOSXQTUMOTGV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent carboxylic acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aminoxides
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic oxoazanium compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aminoxide
  • carboxylic acid ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic oxoazanium
  • organooxygen compound