Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:32 UTC
Update Date2025-03-25 00:53:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202451
Frequency0.5
Structure
Chemical FormulaC7H16NOS+
Molecular Mass162.0947
SMILESC[N+](C)(C)C(=O)CCCS
InChI KeyUKJYHOGXAOJFTI-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acids and derivatives
Direct Parent carboxylic acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • alkylthiol
  • organooxygen compound