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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:08 UTC
Update Date2025-03-25 00:49:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176524
Frequency0.5
Structure
Chemical FormulaC6H9BrO3
Molecular Mass207.9735
SMILESO=C(O)CCCC(=O)CBr
InChI KeyRSVRRKJEFBMQJL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent medium-chain fatty acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl bromides
  • alpha-haloketones
  • carboxylic acids
  • halogenated fatty acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organobromides
    • Substituents
  • halogenated fatty acid
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • organohalogen compound
  • alkyl bromide
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organobromide
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • medium-chain fatty acid
  • organooxygen compound