Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:52:31 UTC
Update Date2025-03-24 14:37:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00896416
Frequency1.6
Structure
Chemical FormulaC4H7NO3
Molecular Mass117.0426
SMILESO=CNCC(=O)CO
InChI KeyXMYKWZWIHLDWFS-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
  • alcohols and polyols
  • alpha-hydroxy ketones
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • monosaccharide
  • carboxamide group
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • secondary carboxylic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound