Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:46:31 UTC
Update Date2025-03-24 14:34:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00881936
Frequency1.7
Structure
Chemical FormulaC6H11NO3
Molecular Mass145.0739
SMILESN=C(O)CCC(O)CC=O
InChI KeyZHIMUMQAOCNSSV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-hydroxy aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • carboximidic acids
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carboximidic acid
  • beta-hydroxy aldehyde
  • organic oxide
  • alpha-hydrogen aldehyde
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound