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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:42 UTC
Update Date2025-03-25 00:51:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184611
Frequency0.5
Structure
Chemical FormulaC7H15N3O6S
Molecular Mass269.0682
SMILESNC(CCNC(=O)C(N)CS(=O)(=O)O)C(=O)O
InChI KeyHNHBWRNBKGYGTJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • fatty acids and conjugates
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonic acids
  • secondary carboxylic acid amides
  • sulfonyls
  • Substituents
  • aliphatic acyclic compound
  • organosulfonic acid or derivatives
  • carbonyl group
  • carboxylic acid
  • organosulfonic acid
  • fatty acid
  • organosulfur compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • alpha-amino acid amide
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound