Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:34:58 UTC
Update Date2025-03-21 17:56:48 UTC
HMDB IDHMDB0031564
Metabolite Identification
DeepMet IDDMID00003779
Name4-Methyl-4-penten-2-one
Frequency1530.5
Structure
Chemical FormulaC6H10O
Molecular Mass98.0732
SMILESC=C(C)CC(C)=O
InChI KeyVADUDTKCGJKNDY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • ketone
  • aliphatic acyclic compound
  • organic oxide
  • hydrocarbon derivative