Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:44 UTC
Update Date2025-03-25 00:45:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150502
Frequency0.5
Structure
Chemical FormulaC14H30NOS+
Molecular Mass260.2043
SMILESCCCCCCCCC(=O)SCC[N+](C)(C)C
InChI KeyQJEIQWSASGTDCM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acyl thioesters
Direct Parent fatty acyl thioesters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amines
  • carbonyl compounds
  • carbothioic s-esters
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • sulfenyl compounds
  • tetraalkylammonium salts
  • thioesters
  • thiolactones
  • Substituents
  • aliphatic acyclic compound
  • thiocarboxylic acid or derivatives
  • carbonyl group
  • sulfenyl compound
  • tetraalkylammonium salt
  • thiocarboxylic acid ester
  • quaternary ammonium salt
  • organosulfur compound
  • carboxylic acid derivative
  • carbothioic s-ester
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • fatty acyl thioester
  • thiolactone
  • amine
  • organooxygen compound