Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:44 UTC
Update Date2025-03-25 00:52:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193761
Frequency0.5
Structure
Chemical FormulaC15H19NS
Molecular Mass245.1238
SMILESCN(C)CCC(c1ccccc1)c1ccsc1
InChI KeyKRQAMJWQDYZFKQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • thiophenes
  • trialkylamines
  • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • tertiary aliphatic amine
  • thiophene
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organoheterocyclic compound