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ONTOLOGY REPORT - ANNOTATIONS


Term:S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate
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Accession:CHEBI:133438 term browser browse the term
Definition:An S-substituted N-acetyl-L-cysteine that is the conjugate base of S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Synonyms:exact_synonym: (2R)-2-acetamido-3-[(5-acetamido-2-hydroxyphenyl)sulfanyl]propanoate
 related_synonym: 3-(N-acetyl-L-cystein-S-yl)acetaminophen(1-);   Formula=C13H15N2O5S;   InChI=1S/C13H16N2O5S/c1-7(16)14-9-3-4-11(18)12(5-9)21-6-10(13(19)20)15-8(2)17/h3-5,10,18H,6H2,1-2H3,(H,14,16)(H,15,17)(H,19,20)/p-1/t10-/m0/s1;   InChIKey=DVPRQNKJGQEICH-JTQLQIEISA-M;   N-acetyl-L-cysteinate S-acetaminophen conjugate;   N-acetyl-L-cysteinate S-paracetamol conjugate;   N-acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-L-cysteine;   S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine(1-);   SMILES=C=1(C=C(C=CC1O)NC(=O)C)SC[C@@H](C([O-])=O)NC(=O)C;   acetaminophen N-acetyl-L-cysteinate conjugate;   acetaminophen mercapturate;   paracetamol N-acetyl-L-cysteinate conjugate
 cyclic_relationship: is_conjugate_base_of CHEBI:133435


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  CHEBI ontology 19748
    role 19695
      biological role 19693
        biochemical role 19191
          metabolite 19162
            xenobiotic metabolite 13855
              human xenobiotic metabolite 13047
                drug metabolite 4393
                  S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate 0
Path 2
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  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      carbon group element atom 19522
                        carbon atom 19516
                          organic molecular entity 19516
                            organic ion 7893
                              organic anion 2227
                                carboxylic acid anion 1826
                                  amino-acid anion 89
                                    alpha-amino-acid anion 82
                                      S-substituted N-acetyl-L-cysteinate 0
                                        S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate 0
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