Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:53 UTC
Update Date2025-03-25 01:00:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244503
Frequency0.5
Structure
Chemical FormulaC10H18O4
Molecular Mass202.1205
SMILESCCCC=CC(=O)COCC(O)CO
InChI KeyKQIWDRWTYOZLGC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classglycerolipids
Subclass glycerol ethers
Direct Parent glycerol ethers
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • acryloyl compounds
  • dialkyl ethers
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • ether
  • alpha,beta-unsaturated ketone
  • dialkyl ether
  • ketone
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • acryloyl-group
  • primary alcohol
  • glycerol ether
  • organooxygen compound
  • 1,2-diol
  • enone