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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:18 UTC
Update Date2025-03-25 00:52:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195035
Frequency0.5
Structure
Chemical FormulaC10H19NO4
Molecular Mass217.1314
SMILESCCCCCN=C(O)CC(O)CC(=O)O
InChI KeyMPXDKZQKHMYMPK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
  • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carboximidic acid
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • fatty acid
  • organic 1,3-dipolar compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • hydroxy fatty acid
  • organic nitrogen compound
  • organooxygen compound