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ONTOLOGY REPORT - ANNOTATIONS


Term:6beta-hydroxycortisol
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Accession:CHEBI:139271 term browser browse the term
Definition:A C21-steroid that is cortisol bearing an additional hydroxy substituent at the 6beta-position. In humans, it is produced as a metabolite of cortisol by cytochrome p450-3A4 (CYP3A4, an important enzyme involved in the metabolism of a variety of exogenous and endogenous compounds) and can be used to detect moderate and potent CYP3A4 inhibition in vivo.
Synonyms:exact_synonym: 6beta,11beta,17,21-tetrahydroxypregn-4-ene-3,20-dione
 related_synonym: (6beta,11beta)-6,11,17,21-tetrahydroxypregn-4-ene-3,20-dione;   6beta,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione;   6beta-HO-cortisol;   6beta-OH-cortisol;   Formula=C21H30O6;   InChI=1S/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12-,13-,15+,16-,18+,19-,20-,21-/m0/s1;   InChIKey=GNFTWPCIRXSCQF-UJXAPRPESA-N;   NSC 76163;   SMILES=C1[C@@]2([C@@]([C@@]3(C([C@@H]1O)=CC(CC3)=O)C)([C@H](C[C@@]4([C@@](CC[C@@]24[H])(O)C(CO)=O)C)O)[H])[H]
 xref: CAS:53-35-0 "ChemIDplus"
 xref_mesh: MESH:C001380
 xref: PMID:14605790 "Europe PMC";   PMID:16149517 "Europe PMC";   PMID:16792464 "Europe PMC";   PMID:17386716 "Europe PMC";   PMID:19959402 "Europe PMC";   PMID:20963880 "Europe PMC";   PMID:21490593 "SUBMITTER";   Reaxys:2512454 "Reaxys"


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  CHEBI ontology 19716
    role 19663
      application 19308
        probe 464
          6beta-hydroxycortisol 0
Path 2
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  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    p-block element atom 19598
                      carbon group element atom 19486
                        carbon atom 19480
                          organic molecular entity 19480
                            organic group 18407
                              organic divalent group 18397
                                organodiyl group 18397
                                  carbonyl group 18285
                                    carbonyl compound 18285
                                      ketone 15909
                                        oxyketone 8447
                                          alpha-oxyketone 8447
                                            alpha-hydroxy ketone 8447
                                              primary alpha-hydroxy ketone 7437
                                                cortisol 154
                                                  6beta-hydroxycortisol 0
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