CHEBI:139271 - 6β-hydroxycortisol

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ChEBI Name 6β-hydroxycortisol ChEBI ID CHEBI:139271 ChEBI ASCII Name 6beta-hydroxycortisol Definition A C21-steroid that is cortisol bearing an additional hydroxy substituent at the 6β-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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H30O6 Net Charge 0 Average Mass 378.460 Monoisotopic Mass 378.20424 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 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] Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Roles Classification Biological Role(s): mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Application(s): probe A role played by a molecular entity used to study the microscopic environment. View more via ChEBI Ontology ChEBI Ontology Outgoing 6β-hydroxycortisol (CHEBI:139271) has functional parent cortisol (CHEBI:17650) 6β-hydroxycortisol (CHEBI:139271) has role human metabolite (CHEBI:77746) 6β-hydroxycortisol (CHEBI:139271) has role mammalian metabolite (CHEBI:75768) 6β-hydroxycortisol (CHEBI:139271) has role probe (CHEBI:50406) 6β-hydroxycortisol (CHEBI:139271) is a 11β-hydroxy steroid (CHEBI:35346) 6β-hydroxycortisol (CHEBI:139271) is a 17α-hydroxy steroid (CHEBI:35342) 6β-hydroxycortisol (CHEBI:139271) is a 20-oxo steroid (CHEBI:36885) 6β-hydroxycortisol (CHEBI:139271) is a 21-hydroxy steroid (CHEBI:35344) 6β-hydroxycortisol (CHEBI:139271) is a 3-oxo-Δ4 steroid (CHEBI:47909) 6β-hydroxycortisol (CHEBI:139271) is a 6β-hydroxy steroid (CHEBI:36851) 6β-hydroxycortisol (CHEBI:139271) is a C21-steroid (CHEBI:61313) 6β-hydroxycortisol (CHEBI:139271) is a primary α-hydroxy ketone (CHEBI:139590) 6β-hydroxycortisol (CHEBI:139271) is a tertiary α-hydroxy ketone (CHEBI:139592) IUPAC Name 6β,11β,17,21-tetrahydroxypregn-4-ene-3,20-dione Synonyms Sources (6β,11β)-6,11,17,21-tetrahydroxypregn-4-ene-3,20-dione ChEBI 6β,11β,17α,21-tetrahydroxypregn-4-ene-3,20-dione SUBMITTER 6β-HO-cortisol ChEBI 6β-hydroxycortisol UniProt 6β-OH-cortisol ChEBI NSC 76163 ChemIDplus Registry Numbers Types Sources 2512454 Reaxys Registry Number Reaxys 53-35-0 CAS Registry Number ChemIDplus Citations Types Sources 14605790 PubMed citation Europe PMC 16149517 PubMed citation Europe PMC 16792464 PubMed citation Europe PMC 17386716 PubMed citation Europe PMC 19959402 PubMed citation Europe PMC 20963880 PubMed citation Europe PMC 21490593 PubMed citation SUBMITTER Last Modified 06 February 2018