Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:02:50 UTC
Update Date2025-03-24 22:28:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01209643
Frequency1.1
Structure
Chemical FormulaC5H9NO3
Molecular Mass131.0582
SMILESNC(=O)CCC(O)C=O
InChI KeyAGJRWFLBRCBNCT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxyaldehydes
  • carboxylic acids and derivatives
  • fatty amides
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • secondary alcohols
  • Substituents
  • primary carboxylic acid amide
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • fatty amide
  • monosaccharide
  • aldehyde
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • alpha-hydroxyaldehyde
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound