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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:11 UTC
Update Date2025-03-25 00:45:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149206
Frequency0.5
Structure
Chemical FormulaC11H23N2O8PS
Molecular Mass374.0913
SMILESCC(C)(COP(=O)(O)O)C(O)C(=O)NCCSCC(N)C(=O)O
InChI KeyNOBQYHAENZWDAQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent cysteine and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfenyl compounds
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty amide
  • monosaccharide
  • organosulfur compound
  • saccharide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • alcohol
  • sulfenyl compound
  • dialkylthioether
  • carboxamide group
  • n-acyl-amine
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phosphoric acid ester
  • thioether
  • monoalkyl phosphate
  • cysteine or derivatives
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound