Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:35:04 UTC
Update Date2025-03-24 20:23:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01431365
Frequency0.9
Structure
Chemical FormulaC4H6O4
Molecular Mass118.0266
SMILESO=C(CO)C(O)=CO
InChI KeyUSMJFAVPWUHCNK-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
  • acryloyl compounds
  • alcohols and polyols
  • alpha-branched alpha,beta-unsaturated ketones
  • alpha-hydroxy ketones
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • vinylogous acids
  • Substituents
  • alcohol
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • carbonyl group
  • monosaccharide
  • alpha,beta-unsaturated ketone
  • alpha-hydroxy ketone
  • ketone
  • vinylogous acid
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • enone