Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:26:01 UTC
Update Date2025-03-24 20:45:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01552947
Frequency0.8
Structure
Chemical FormulaC4H8NO2
Molecular Mass102.0555
SMILESCC(=O)C[N+](C)[O-]
InChI KeyJYTCRNOPLXUXBF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • ketone
  • aliphatic acyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic hyponitrite