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6beta-hydroxycortisol

Go to external page http://purl.obolibrary.org/obo/CHEBI_139271

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.

Term info

Label

6beta-hydroxycortisol

Synonyms
  • 6beta,11beta,17,21-tetrahydroxypregn-4-ene-3,20-dione
  • 6beta-hydroxycortisol
database cross reference
Subsets

3_STAR

IUPAC NAME
6beta,11beta,17,21-tetrahydroxypregn-4-ene-3,20-dione [ IUPAC ]

charge

0

formula

C21H30O6

has obo namespace

chebi_ontology

has related synonym

6beta-OH-cortisol, 6beta,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione, NSC 76163, 6beta-HO-cortisol, (6beta,11beta)-6,11,17,21-tetrahydroxypregn-4-ene-3,20-dione

id

CHEBI:139271

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

mass

378.460

monoisotopicmass

378.20424

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]