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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:34 UTC
Update Date2025-03-25 00:59:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239112
Frequency0.5
Structure
Chemical FormulaC6H10N2O5S
Molecular Mass222.031
SMILESNC(=O)SC(CC(N)C(=O)O)C(=O)O
InChI KeySCYKTVYZVDNVFP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent glutamic acid and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • thia fatty acids
  • thiolactones
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carbonic acid derivative
  • carboxylic acid
  • sulfenyl compound
  • fatty acid
  • glutamic acid or derivatives
  • organosulfur compound
  • organic oxide
  • thia fatty acid
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • thiolactone
  • organooxygen compound