Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:31:52 UTC
Update Date2025-03-24 22:06:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01994963
Frequency0.6
Structure
Chemical FormulaC5H11NO3
Molecular Mass133.0739
SMILESC[N+](C)([O-])CC(=O)CO
InChI KeyKBIBEFNEXNGWKU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-hydroxy ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organopnictogen compounds
  • trialkyl amine oxides
  • trisubstituted amine oxides and derivatives
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • n-oxide
  • trialkyl amine oxide
  • alpha-hydroxy ketone
  • organic oxide
  • trisubstituted n-oxide
  • aminoxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic hyponitrite