CHEBI:139269 - 6β-hydroxycortisone

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 6β-hydroxycortisone ChEBI ID CHEBI:139269 ChEBI ASCII Name 6beta-hydroxycortisone Definition A C21-steroid that is cortisone bearing an additional hydroxy substituent at the 6β-position. 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 C21H28O6 Net Charge 0 Average Mass 376.444 Monoisotopic Mass 376.18859 InChI InChI=1S/C21H28O6/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/h7,12-13,15,18,22,24,27H,3-6,8-10H2,1-2H3/t12-,13-,15+,18+,19-,20-,21-/m0/s1 InChIKey BCHHPSBWEQCAPG-WTCKOWDJSA-N SMILES C1[C@@]2([C@@]([C@@]3(C([C@@H]1O)=CC(CC3)=O)C)(C(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): 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-hydroxycortisone (CHEBI:139269) has functional parent cortisone (CHEBI:16962) 6β-hydroxycortisone (CHEBI:139269) has role human metabolite (CHEBI:77746) 6β-hydroxycortisone (CHEBI:139269) has role probe (CHEBI:50406) 6β-hydroxycortisone (CHEBI:139269) is a 11-oxo steroid (CHEBI:47787) 6β-hydroxycortisone (CHEBI:139269) is a 17α-hydroxy steroid (CHEBI:35342) 6β-hydroxycortisone (CHEBI:139269) is a 20-oxo steroid (CHEBI:36885) 6β-hydroxycortisone (CHEBI:139269) is a 21-hydroxy steroid (CHEBI:35344) 6β-hydroxycortisone (CHEBI:139269) is a 3-oxo-Δ4 steroid (CHEBI:47909) 6β-hydroxycortisone (CHEBI:139269) is a 6β-hydroxy steroid (CHEBI:36851) 6β-hydroxycortisone (CHEBI:139269) is a C21-steroid (CHEBI:61313) 6β-hydroxycortisone (CHEBI:139269) is a primary α-hydroxy ketone (CHEBI:139590) 6β-hydroxycortisone (CHEBI:139269) is a tertiary α-hydroxy ketone (CHEBI:139592) IUPAC Name 6β,17,21-trihydroxypregn-4-ene-3,11,20-trione Synonyms Sources 6β-17α,21-trihydroxypregn-4-ene-3,11,20-trione SUBMITTER 6β-hydroxycortisone UniProt Registry Number Type Source 3177303 Reaxys Registry Number Reaxys Citations Types Sources 10718654 PubMed citation Europe PMC 13941685 PubMed citation Europe PMC 21490593 PubMed citation SUBMITTER Last Modified 06 February 2018