Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:38:36 UTC
Update Date2025-03-25 01:30:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02428749
Frequency0.5
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC(=O)C=COCCO
InChI KeyVPYWTMNHMSXBTR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass acryloyl compounds
Direct Parent acryloyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • vinylogous esters
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • vinylogous ester
  • alpha,beta-unsaturated ketone
  • ketone
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • enone