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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:24 UTC
Update Date2025-03-21 18:32:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00091745
Frequency30.6
Structure
Chemical FormulaC13H21N3O2S
Molecular Mass283.1354
SMILESC=CCNC(=O)CCCCC1SCC2NC(=O)NC21
InChI KeyXPFAEVOBABXHBW-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
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylthioethers
  • hydrocarbon derivatives
  • imidazolidinones
  • n-acyl amines
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • thienoimidazolidines
  • thiolanes
  • thiophenes
    • Substituents
  • thiolane
  • imidazolidine
  • fatty acyl
  • carbonyl group
  • fatty amide
  • thiophene
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • imidazolidinone
  • organic oxide
  • biotin_derivative
  • organonitrogen compound
  • organopnictogen compound
  • carbonic acid derivative
  • azacycle
  • dialkylthioether
  • thienoimidazolidine
  • carboxamide group
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound