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ONTOLOGY REPORT - ANNOTATIONS


Term:S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine
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Accession:CHEBI:133435 term browser browse the term
Definition:An S-substituted N-acetyl-L-cysteine in which the S-substitutuent is specified as 5-acetamido-2-hydroxyphenyl.
Synonyms:related_synonym: 3-(N-acetyl-L-cystein-S-yl)acetaminophen;   Acetaminophen mercapturate;   Formula=C13H16N2O5S;   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)/t10-/m0/s1;   InChIKey=DVPRQNKJGQEICH-JTQLQIEISA-N;   N-Acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-L-cysteine;   N-acetyl-L-cysteine S-acetaminophen conjugate;   N-acetyl-L-cysteine S-paracetamol conjugate;   SMILES=C=1(C=C(C=CC1O)NC(=O)C)SC[C@@H](C(O)=O)NC(=O)C;   acetaminophen N-acetyl-L-cysteine conjugate;   acetaminophen mercapturic acid;   paracetamol N-acetyl-L-cysteine conjugate
 xref: CAS:52372-86-8 "ChemIDplus";   PMID:1440617 "Europe PMC";   PMID:2087153 "Europe PMC";   PMID:6833497 "Europe PMC";   PMID:7705777 "Europe PMC";   Reaxys:8395991 "Reaxys"
 cyclic_relationship: is_conjugate_acid_of CHEBI:133438


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19734
    role 19680
      biological role 19678
        xenobiotic 18334
          paracetamol 10655
            S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      carbon group element atom 19506
                        carbon atom 19500
                          organic molecular entity 19500
                            organic group 18414
                              organic divalent group 18406
                                organodiyl group 18406
                                  carbonyl group 18295
                                    carbonyl compound 18295
                                      carboxylic acid 17963
                                        carboacyl group 17074
                                          univalent carboacyl group 17074
                                            carbamoyl group 16804
                                              carboxamide 16804
                                                acetamides 11608
                                                  N-acetyl-amino acid 874
                                                    N-acetyl-L-amino acid 845
                                                      N-acetyl-L-cysteine 844
                                                        S-substituted N-acetyl-L-cysteine 0
                                                          S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine 0
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