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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:07 UTC
Update Date2025-03-21 18:34:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100796
Frequency27.1
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESCC=CCCC(O)C=O
InChI KeyCGUMJLOOPQVOSY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty alcohols
Direct Parent fatty alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxyaldehydes
  • hydrocarbon derivatives
  • medium-chain aldehydes
  • monosaccharides
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • monosaccharide
  • aldehyde
  • medium-chain aldehyde
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • organic oxygen compound
  • fatty alcohol
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound