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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:55 UTC
Update Date2025-03-25 00:46:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155630
Frequency0.5
Structure
Chemical FormulaC17H27N3O3
Molecular Mass321.2052
SMILESCc1cccc(C)c1NC(=O)CNCCCCCC(N)C(=O)O
InChI KeyOPSBQAPRGPAIFL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acids
  • amino acids
  • amino fatty acids
  • anilides
  • carbocyclic fatty acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • m-xylenes
    • Substituents
  • fatty acyl
  • carbocyclic fatty acid
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • amino acid
  • fatty acid
  • n-arylamide
  • xylene
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • secondary aliphatic amine
  • alpha-amino acid amide
  • m-xylene
  • secondary amine
  • carboxamide group
  • amino fatty acid
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amine