Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:23 UTC
Update Date2025-03-25 00:48:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170168
Frequency0.5
Structure
Chemical FormulaC21H40OS2
Molecular Mass372.2521
SMILESCCCCCCCCCCCCCC(=O)CCCCC1CCSS1
InChI KeyNHSQLUXYOWNZAF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdithiolanes
Subclass 1,2-dithiolanes
Direct Parent 1,2-dithiolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketones
  • organic disulfides
  • organic oxides
  • Substituents
  • ketone
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • organic disulfide
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • 1,2-dithiolane
  • organooxygen compound