Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:09 UTC
Update Date2025-03-25 00:46:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153839
Frequency0.5
Structure
Chemical FormulaC14H19NOS3
Molecular Mass313.0629
SMILESCS(=O)CCCCNC(=S)SC=Cc1ccccc1
InChI KeyZOAGHQAYZXSFJT-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 homomonocyclic compounds
Alternative Parents
  • dithiocarbamic acid esters
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • sulfinyl compounds
  • sulfoxides
  • Substituents
  • monocyclic benzene moiety
  • sulfenyl compound
  • organosulfur compound
  • aromatic homomonocyclic compound
  • dithiocarbamic acid ester
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound