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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:09 UTC
Update Date2025-03-25 00:52:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02192429
Frequency0.5
Structure
Chemical FormulaC29H55NO4
Molecular Mass481.4131
SMILESCCCCCCC=CC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)C(=O)O
InChI KeyOCYCTJUZGFOWMF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • amino fatty acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • fatty amide
  • monosaccharide
  • medium-chain hydroxy acid
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • alcohol
  • hydroxy acid
  • carboxamide group
  • amino fatty acid
  • n-acyl-amine
  • beta amino acid or derivatives
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound