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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:31 UTC
Update Date2025-03-21 18:37:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116439
Frequency22.6
Structure
Chemical FormulaC9H15N3O3S
Molecular Mass245.0834
SMILESC=CCNC(=N)SCC(NC(C)=O)C(=O)O
InChI KeyCSRDUYDENMNHHO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent n-acyl-alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acetamides
  • alpha amino acids
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • cysteine and derivatives
  • hydrocarbon derivatives
  • imines
  • isothioureas
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • imine
  • organosulfur compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • acetamide
  • isothiourea
  • sulfenyl compound
  • n-acyl-alpha-amino acid
  • carboximidamide
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • cysteine or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound