Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:13:20 UTC
Update Date2025-03-21 19:07:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00235052
Frequency9.1
Structure
Chemical FormulaC6H10O2
Molecular Mass114.0681
SMILESCCCC(C=O)=CO
InChI KeyHXJOWQIGQSSSOD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous acids
Subclass vinylogous acids
Direct Parent vinylogous acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • vinylogous acid
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • aldehyde
  • hydrocarbon derivative
  • organooxygen compound