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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:51:25 UTC
Update Date2025-03-24 21:48:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01898972
Frequency0.6
Structure
Chemical FormulaC2H3NO4S
Molecular Mass136.9783
SMILESO=C(O)CS[N+](=O)[O-]
InChI KeyKULVPYWIJMLJEQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass organic nitro compounds
Direct Parent organic nitro compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic nitrogen compounds
  • organic oxides
  • organic oxoanionic compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • sulfenyl compound
  • organosulfur compound
  • carboxylic acid derivative
  • organic nitro compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite