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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:52 UTC
Update Date2025-03-25 00:48:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171300
Frequency0.5
Structure
Chemical FormulaC22H34N2O5
Molecular Mass406.2468
SMILESCC(=O)NC(CCCCNCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1)C(=O)O
InChI KeyVLXZUCOZHXPWCO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent n-acyl-alpha amino acids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • acetamides
  • alkyl aryl ethers
  • alpha amino acids
  • amino acids
  • amino fatty acids
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-benzopyran
  • amino acid
  • heterocyclic fatty acid
  • fatty acid
  • alkyl aryl ether
  • medium-chain hydroxy acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • chromane
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organoheterocyclic compound
  • acetamide
  • secondary aliphatic amine
  • benzopyran
  • n-acyl-alpha-amino acid
  • secondary amine
  • carboxamide group
  • amino fatty acid
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine