Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:14 UTC
Update Date2025-03-25 01:00:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245324
Frequency0.5
Structure
Chemical FormulaC24H36N2O2S
Molecular Mass416.2497
SMILESCCCCCCCCc1ccc(NCc2ccc(CSCCNC(C)=O)o2)cc1
InChI KeyRSOFPJCQFQOCMI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent phenylalkylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylthioethers
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alkylarylamines
  • secondary carboxylic acid amides
  • sulfenyl compounds
  • Substituents
  • furan
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • organopnictogen compound
  • organoheterocyclic compound
  • acetamide
  • sulfenyl compound
  • dialkylthioether
  • heteroaromatic compound
  • secondary amine
  • carboxamide group
  • secondary aliphatic/aromatic amine
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound