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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:40 UTC
Update Date2025-03-25 00:58:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02232525
Frequency0.5
Structure
Chemical FormulaC13H23NO5
Molecular Mass273.1576
SMILESCCC=CCCC(O)C(O)=NCCCC(O)C(=O)O
InChI KeyMKYNXOCFRZDMCU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent hydroxy fatty acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
    • Substituents
  • aliphatic acyclic compound
  • carboximidic acid
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • alpha-hydroxy acid
  • monosaccharide
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydroxy fatty acid
  • alcohol
  • organic 1,3-dipolar compound
  • hydroxy acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound