Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:21 UTC
Update Date2025-03-21 18:38:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123172
Frequency20.9
Structure
Chemical FormulaC8H16NO3+
Molecular Mass174.1125
SMILESCCCC(O)CC(=O)C[N+](C)=O
InChI KeyMFFJFLPVPTZKGT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-hydroxy ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aminoxides
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic oxoazanium compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • organic oxide
  • aminoxide
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic oxoazanium