Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:47 UTC
Update Date2025-03-21 18:33:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00097555
Frequency28.3
Structure
Chemical FormulaC7H13NS2
Molecular Mass175.0489
SMILESC=CCNC(=S)SCCC
InChI KeyDQRBHIWHMDFFGI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classdithiocarbamic acids and derivatives
Subclass dithiocarbamic acid esters
Direct Parent dithiocarbamic acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • Substituents
  • dithiocarbamic acid ester
  • aliphatic acyclic compound
  • sulfenyl compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organosulfur compound