Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:14 UTC
Update Date2025-03-21 18:41:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00132345
Frequency19.1
Structure
Chemical FormulaC6H14N2OS
Molecular Mass162.0827
SMILESCC(CSCCN)C(N)=O
InChI KeyJTMPXECEAHGOTM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent primary carboxylic acid amides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • Substituents
  • primary carboxylic acid amide
  • aliphatic acyclic compound
  • carbonyl group
  • sulfenyl compound
  • dialkylthioether
  • organosulfur compound
  • organic oxide
  • organic oxygen compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound