Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:52:31 UTC
Update Date2025-03-24 20:30:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01471641
Frequency0.9
Structure
Chemical FormulaC5H8O4
Molecular Mass132.0423
SMILESCC(O)(CO)C(O)=C=O
InChI KeyWEDNCOAEZICFML-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • hydrocarbon derivatives
  • organic oxides
  • ynolates
  • Substituents
  • aliphatic acyclic compound
  • tertiary alcohol
  • organic oxide
  • ynolate
  • hydrocarbon derivative
  • 1,2-diol