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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:07 UTC
Update Date2025-03-21 18:03:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00043646
Frequency114.8
Structure
Chemical FormulaC5H11N3O2S
Molecular Mass177.0572
SMILESNC(N)=NCCSCC(=O)O
InChI KeyOZTWHVIUIKXLTB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent guanidines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • sulfenyl compound
  • guanidine
  • dialkylthioether
  • organic 1,3-dipolar compound
  • carboximidamide
  • organosulfur compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound