Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:04 UTC
Update Date2025-03-21 18:34:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100665
Frequency27.2
Structure
Chemical FormulaC22H27N3O2S
Molecular Mass397.1824
SMILESOCCOCCN1CCN(C2=Nc3ccccc3CSc3ccccc32)CC1
InChI KeyYBXHDRSPGTUKDA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass aryl thioethers
Direct Parent aryl thioethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkylarylthioethers
  • amidines
  • azacyclic compounds
  • benzenoids
  • dialkyl ethers
  • hydrocarbon derivatives
  • imidolactams
  • n-alkylpiperazines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
  • Substituents
  • ether
  • amidine
  • alkylarylthioether
  • dialkyl ether
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • organic oxygen compound
  • 1,4-diazinane
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound