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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:51 UTC
Update Date2025-03-25 00:51:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184950
Frequency0.5
Structure
Chemical FormulaC15H27N5O2S
Molecular Mass341.1885
SMILESN=C(N)CCCCNC(=O)CCCCC1SCC2NC(=O)NC21
InChI KeyXOTAAPIKWGPNMR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbiotin and derivatives
Subclass biotin and derivatives
Direct Parent biotin and derivatives
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • dialkylthioethers
  • hydrocarbon derivatives
  • imidazolidinones
  • n-acyl amines
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • thienoimidazolidines
  • thiolanes
  • thiophenes
    • Substituents
  • thiolane
  • imidazolidine
  • fatty acyl
  • carbonyl group
  • fatty amide
  • amidine
  • thiophene
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • imidazolidinone
  • organic oxide
  • biotin_derivative
  • organonitrogen compound
  • organopnictogen compound
  • carbonic acid derivative
  • azacycle
  • dialkylthioether
  • carboximidamide
  • thienoimidazolidine
  • carboxamide group
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound