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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:18 UTC
Update Date2025-03-25 00:49:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02174592
Frequency0.5
Structure
Chemical FormulaC12H24N2OS2
Molecular Mass276.133
SMILESCCCC=CCN=C(S)NCCCCS(C)=O
InChI KeyQKBSMANCCBYSOQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioureas
Subclass thioureas
Direct Parent thioureas
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfinyl compounds
  • sulfoxides
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • thiourea
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound