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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:N-acetyl-S-phenyl-L-cysteine
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Accession:CHEBI:165887 term browser browse the term
Definition:The S-phenyl derivative of N-acetyl-L-cysteine. It is a urinary metabolite of benzene and used as a biomarker to assess benzene exposure.
Synonyms:related_synonym: (2R)-2-acetamido-3-(phenylsulfanyl)propanoic acid;   (2R)-2-acetamido-3-phenylsulfanylpropanoic acid;   (R)-2-acetamido-3-(phenylthio)propanoic acid;   Formula=C11H13NO3S;   InChI=1S/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1;   InChIKey=CICOZWHZVMOPJS-JTQLQIEISA-N;   N-acetyl-3-(phenylthio)alanine;   S-PMA;   S-phenylmercapturic acid;   SMILES=CC(=O)N[C@@H](CSC1=CC=CC=C1)C(O)=O;   phenylmercapturic acid
 xref: CAS:4775-80-8;   Chemspider:2005928
 xref_mesh: MESH:C053003
 xref: PMID:18258494;   PMID:18421879;   PMID:18761793;   PMID:19762294;   PMID:20022567;   PMID:20137405;   PMID:21033424;   PMID:21417625;   PMID:21801486;   PMID:22846771;   PMID:23619091;   PMID:24218894;   PMID:24561506;   PMID:24630023;   PMID:26959369;   PMID:27860299;   PMID:28863335;   PMID:29034721;   PMID:30248751;   PMID:31177331;   PMID:31770470;   PMID:32203622;   PMID:32380125;   PMID:33025019;   PMID:34432338;   PMID:35597459;   PMID:36350738
 cyclic_relationship: is_conjugate_acid_of CHEBI:194372


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N-acetyl-S-phenyl-L-cysteine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 affects abundance ISO CYP2D6 affects the abundance of S-phenyl-N-acetylcysteine CTD PMID:10780264 NCBI chr 7:113,882,584...113,891,754
Ensembl chr 7:113,881,618...113,891,759 		JBrowse link
G Cyp2e1 cytochrome P450, family 2, subfamily e, polypeptide 1 multiple interactions ISO [CYP2E1 protein affects the metabolism of Benzene] which affects the chemical synthesis of S-phenyl-N-acetylcysteine CTD PMID:15051535 NCBI chr 1:195,840,330...195,850,728
Ensembl chr 1:195,840,058...195,864,023 		JBrowse link
G Gsta1 glutathione S-transferase alpha 1 affects abundance
multiple interactions		 ISO GSTA1 gene polymorphism affects the abundance of S-phenyl-N-acetylcysteine
GSTA1 gene polymorphism affects the reaction [GSTM1 gene polymorphism affects the abundance of S-phenyl-N-acetylcysteine]		 CTD PMID:20100551 NCBI chr 9:23,703,476...23,720,121
Ensembl chr 9:23,703,477...23,720,121 		JBrowse link
G Gstm1 glutathione S-transferase mu 1 affects abundance
multiple interactions		 ISO GSTM1 gene polymorphism affects the abundance of S-phenyl-N-acetylcysteine; GSTM1 polymorphism affects the abundance of S-phenyl-N-acetylcysteine
[GSTM1 polymorphism co-treated with Smoke] affects the abundance of S-phenyl-N-acetylcysteine; GSTA1 gene polymorphism affects the reaction [GSTM1 gene polymorphism affects the abundance of S-phenyl-N-acetylcysteine]; GSTT1 gene polymorphism affects the reaction [GSTM1 gene polymorphism affects the abundance of S-phenyl-N-acetylcysteine]		 CTD PMID:17056211 PMID:20100551 PMID:21300142 NCBI chr 2:195,649,845...195,655,402
Ensembl chr 2:195,649,845...195,655,411 		JBrowse link
G Gstt1 glutathione S-transferase theta 1 multiple interactions
affects chemical synthesis
affects abundance		 ISO [GSTT1 gene SNP affects the metabolism of Benzene] which affects the abundance of S-phenyl-N-acetylcysteine; GSTT1 gene polymorphism affects the reaction [GSTM1 gene polymorphism affects the abundance of S-phenyl-N-acetylcysteine]
GSTT1 protein polymorphism affects the chemical synthesis of S-phenyl-N-acetylcysteine
GSTT1 gene polymorphism affects the abundance of S-phenyl-N-acetylcysteine; GSTT1 polymorphism affects the abundance of S-phenyl-N-acetylcysteine		 CTD PMID:15533900 PMID:15935803 PMID:20100551 PMID:21300142 PMID:30086327 NCBI chr20:12,856,613...12,873,586
Ensembl chr20:12,856,669...12,873,585 		JBrowse link
G Nqo1 NAD(P)H quinone dehydrogenase 1 affects abundance ISO NQO1 affects the abundance of S-phenyl-N-acetylcysteine; NQO1 polymorphism affects the abundance of S-phenyl-N-acetylcysteine CTD PMID:10780264 PMID:12798093 NCBI chr19:35,295,633...35,310,528
Ensembl chr19:35,295,573...35,310,557 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      application 19627
        indicator 8765
          biomarker 6574
            N-acetyl-S-phenyl-L-cysteine 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            heteroorganic entity 19460
                              organochalcogen compound 19224
                                organooxygen compound 19141
                                  carbon oxoacid 18612
                                    carboxylic acid 18609
                                      carboacyl group 17677
                                        univalent carboacyl group 17677
                                          carbamoyl group 17526
                                            carboxamide 17526
                                              acetamides 14611
                                                N-acetyl-amino acid 991
                                                  N-acetyl-L-amino acid 966
                                                    N-acetyl-L-cysteine 965
                                                      S-substituted N-acetyl-L-cysteine 6
                                                        N-acetyl-S-phenyl-L-cysteine 6
paths to the root