loading...| Preferred Name |
6beta-hydroxycortisol |
| Synonyms |
6beta-HO-cortisol NSC 76163 (6beta,11beta)-6,11,17,21-tetrahydroxypregn-4-ene-3,20-dione 6beta,11beta,17,21-tetrahydroxypregn-4-ene-3,20-dione 6beta-OH-cortisol 6beta-hydroxycortisol 6beta,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione |
| Definitions |
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. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_139271 |
| charge |
0 |
| database_cross_reference |
PMID:19959402 Reaxys:2512454 PMID:17386716 PMID:20963880 CAS:53-35-0 PMID:21490593 PMID:16149517 PMID:16792464 PMID:14605790 |
| 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. |
| formula |
C21H30O6 |
| has functional parent | |
| has role |
http://purl.obolibrary.org/obo/CHEBI_75768 |
| has_exact_synonym |
6beta,11beta,17,21-tetrahydroxypregn-4-ene-3,20-dione 6beta-hydroxycortisol |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
6beta-HO-cortisol NSC 76163 (6beta,11beta)-6,11,17,21-tetrahydroxypregn-4-ene-3,20-dione 6beta-OH-cortisol 6beta,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione |
| id |
CHEBI:139271 |
| in_subset | |
| inchi |
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 |
| label |
6beta-hydroxycortisol |
| mass |
378.460 |
| monoisotopicmass |
378.20424 |
| notation |
CHEBI:139271 |
| prefLabel |
6beta-hydroxycortisol |
| 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] |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_139592 http://purl.obolibrary.org/obo/CHEBI_35346 http://purl.obolibrary.org/obo/CHEBI_61313 http://purl.obolibrary.org/obo/CHEBI_35342 http://purl.obolibrary.org/obo/CHEBI_36851 http://purl.obolibrary.org/obo/CHEBI_35344 http://purl.obolibrary.org/obo/CHEBI_47909 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_139592 http://purl.obolibrary.org/obo/CHEBI_35346 http://purl.obolibrary.org/obo/CHEBI_61313 http://purl.obolibrary.org/obo/CHEBI_35342 http://purl.obolibrary.org/obo/CHEBI_36851 http://purl.obolibrary.org/obo/CHEBI_35344 http://purl.obolibrary.org/obo/CHEBI_47909 |