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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:26:21 UTC
Update Date2025-03-24 20:19:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01410188
Frequency0.9
Structure
Chemical FormulaC3H5NO2S
Molecular Mass119.0041
SMILESC=CCS[N+](=O)[O-]
InChI KeyZNHBEBIUBQCDKW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classallyl sulfur compounds
Subclass allyl sulfur compounds
Direct Parent allyl sulfur compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic nitro compounds
  • organic nitrogen compounds
  • organic oxides
  • organic oxoanionic compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • allyl sulfur compound
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • organic nitro compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic hyponitrite