Hmdb loader

Showing information for DMID00331340

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:55:00 UTC
Update Date2025-03-21 20:07:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00331340
Frequency5.8
Structure
Chemical FormulaC5H7NOS
Molecular Mass129.0248
SMILESCCC(=O)CN=C=S
InChI KeyZWOGFFBIIPRLCP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classisothiocyanates
Subclass isothiocyanates
Direct Parent isothiocyanates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • isothiocyanate
  • carbonyl group
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound