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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:42 UTC
Update Date2025-03-25 00:49:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177843
Frequency0.5
Structure
Chemical FormulaC8H13NO3
Molecular Mass171.0895
SMILESN#CC(O)CCCCCC(=O)O
InChI KeyUPFBGPUUOUSKIF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass medium-chain hydroxy acids and derivatives
Direct Parent medium-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxynitriles
  • amino fatty acids
  • carbonyl compounds
  • carboxylic acids
  • cyanohydrins
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • nitrile
  • carboxylic acid
  • fatty acid
  • cyanohydrin
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • carbonitrile
  • alcohol
  • amino fatty acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alpha-hydroxynitrile
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound