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Showing information for DMID00011988

Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:38:30 UTC
Update Date2025-03-21 17:58:04 UTC
HMDB IDHMDB0033764
Metabolite Identification
DeepMet IDDMID00011988
NameErucin
Frequency382.0
Structure
Chemical FormulaC6H11NS2
Molecular Mass161.0333
SMILESCSCCCCN=C=S
InChI KeyIHQDGXUYTSZGOG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • isothiocyanate
  • sulfenyl compound
  • dialkylthioether
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound