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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:31 UTC
Update Date2025-03-25 00:58:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02232188
Frequency0.5
Structure
Chemical FormulaC27H37N3O5S
Molecular Mass515.2454
SMILESCCC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CSC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
InChI KeyCUKFNYRBNCZMEV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass dicarboxylic acids and derivatives
Direct Parent dicarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • organosulfur compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • sulfenyl compound
  • azacycle
  • dialkylthioether
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • thioether
  • pyrrole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound