Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:26:11 UTC
Update Date2025-03-24 21:10:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01697054
Frequency0.7
Structure
Chemical FormulaC3H7NOS
Molecular Mass105.0248
SMILESN=CC(O)CS
InChI KeyJTDXSBGLXBSJTM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • carbonyl compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organosulfur compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • alkylthiol