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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:19:33 UTC
Update Date2025-03-24 20:42:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01537234
Frequency0.8
Structure
Chemical FormulaC4H10O4
Molecular Mass122.0579
SMILESCC(O)C(O)COO
InChI KeyHKHCOPQULPQCQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic hydroperoxides
Subclass organic hydroperoxides
Direct Parent organic hydroperoxides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl hydroperoxides
  • hydrocarbon derivatives
  • peroxols
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • alkyl hydroperoxide
  • secondary alcohol
  • hydroperoxide
  • hydrocarbon derivative
  • peroxol
  • organooxygen compound
  • 1,2-diol