Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:53:41 UTC
Update Date2025-03-21 18:03:56 UTC
HMDB IDHMDB0032447
Metabolite Identification
DeepMet IDDMID00047435
Name1,5-Octadien-3-one
Frequency70.2
Structure
Chemical FormulaC8H12O
Molecular Mass124.0888
SMILESC=CC(=O)CC=CCC
InChI KeyVWYBQOFZVSNDAW-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
  • Substituents
  • ketone
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • hydrocarbon derivative
  • acryloyl-group
  • alpha,beta-unsaturated ketone
  • enone