Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:05:57 UTC
Update Date2025-03-24 21:01:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01648118
Frequency0.8
Structure
Chemical FormulaC4H9NO2S
Molecular Mass135.0354
SMILESCC(C(N)=O)=[SH](C)=O
InChI KeyGCWNQZPBEFVDDS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthiocarbonyl compounds
Subclass thioketones
Direct Parent thioketone s-oxides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • primary carboxylic acid amides
  • s-alkylsulfenates
  • Substituents
  • primary carboxylic acid amide
  • aliphatic acyclic compound
  • s-alkylsulfenate
  • carbonyl group
  • carboxamide group
  • carboxylic acid derivative
  • thioketone-s-oxide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • alkylthiol
  • organooxygen compound