Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:19:34 UTC
Update Date2025-03-24 20:42:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01537250
Frequency0.8
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCC(O)C1(C=O)CCCO1
InChI KeyZTYDFUQLUVVTFO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-hydroxy aldehydes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • beta-hydroxy aldehyde
  • ether
  • tetrahydrofuran
  • dialkyl ether
  • oxacycle
  • organic oxide
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organoheterocyclic compound