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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:57 UTC
Update Date2025-03-25 01:01:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251600
Frequency0.5
Structure
Chemical FormulaC3H5NO3S
Molecular Mass134.999
SMILESO=CSCC[N+](=O)[O-]
InChI KeySFDZQSDGDVLAQP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolactones
Subclass thiolactones
Direct Parent thiolactones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • c-nitro compounds
  • carbonyl compounds
  • carbothioic s-esters
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
  • thioesters
    • Substituents
  • aliphatic acyclic compound
  • thiocarboxylic acid or derivatives
  • carbonyl group
  • sulfenyl compound
  • thiocarboxylic acid ester
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • organosulfur compound
  • carboxylic acid derivative
  • organic nitro compound
  • carbothioic s-ester
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • thiolactone
  • organooxygen compound
  • organic hyponitrite