Hmdb loader

Showing information for DMID01502365

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:05:20 UTC
Update Date2025-03-24 20:36:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01502365
Frequency0.8
Structure
Chemical FormulaC4H9NO2S
Molecular Mass135.0354
SMILESCCCSC[N+](=O)[O-]
InChI KeyVXHJZSVEOUSHTL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass organic nitro compounds
Direct Parent c-nitro compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • dialkylthioether
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • thioether
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organic hyponitrite