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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:53 UTC
Update Date2025-03-25 00:46:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153205
Frequency0.5
Structure
Chemical FormulaC9H17NOS2
Molecular Mass219.0752
SMILESNC(=O)CCCCC1CSCSC1
InChI KeyNMEZXKAONGUUHJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdithianes
Subclass dithianes
Direct Parent dithianes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylthioethers
  • dithioacetals
  • fatty amides
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
    • Substituents
  • primary carboxylic acid amide
  • fatty acyl
  • carbonyl group
  • 1,3-dithiane
  • dialkylthioether
  • fatty amide
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • thioether
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • thioacetal
  • organic nitrogen compound
  • organooxygen compound