Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:29:50 UTC
Update Date2025-03-21 23:18:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00697832
Frequency2.2
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCCCCC(=O)C=C(O)O
InChI KeyJVNQCGHNNSFVSR-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
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • vinylogous acids
  • Substituents
  • ketone
  • aliphatic acyclic compound
  • vinylogous acid
  • carbonyl group
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • alpha,beta-unsaturated ketone
  • enone