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CHEBI:180930 - 6β-hydroxyprednisone

ChEBI IDCHEBI:180930
ChEBI Name6β-hydroxyprednisone
Stars
ASCII Name6beta-hydroxyprednisone
DefinitionA glucocorticoid that is prednisone carrying a hydroxy group at the 6β position. It is a metabolite of prednisone found in human urine.
Last Modified19 October 2021
SubmitterR. Stephan
DownloadsMolfile
FormulaC21H26O6
Net Charge0
Average Mass374.433
Monoisotopic Mass374.17294
SMILES[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C21H26O6/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/h3,5,7,12-13,15,18,22,24,27H,4,6,8-10H2,1-2H3/t12-,13-,15+,18+,19-,20-,21-/m0/s1
InChIKeyRBABUXAIODUPQG-WTCKOWDJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (25800201)
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
6β-hydroxyprednisone (CHEBI:180930) has functional parent prednisone (CHEBI:8382)
6β-hydroxyprednisone (CHEBI:180930) has role human urinary metabolite (CHEBI:84087)
6β-hydroxyprednisone (CHEBI:180930) is a 11-oxo steroid (CHEBI:47787)
6β-hydroxyprednisone (CHEBI:180930) is a 17α-hydroxy steroid (CHEBI:35342)
6β-hydroxyprednisone (CHEBI:180930) is a 20-oxo steroid (CHEBI:36885)
6β-hydroxyprednisone (CHEBI:180930) is a 21-hydroxy steroid (CHEBI:35344)
6β-hydroxyprednisone (CHEBI:180930) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
6β-hydroxyprednisone (CHEBI:180930) is a 6β-hydroxy steroid (CHEBI:36851)
6β-hydroxyprednisone (CHEBI:180930) is a C21-steroid (CHEBI:61313)
6β-hydroxyprednisone (CHEBI:180930) is a glucocorticoid (CHEBI:24261)
6β-hydroxyprednisone (CHEBI:180930) is a primary α-hydroxy ketone (CHEBI:139590)
6β-hydroxyprednisone (CHEBI:180930) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
6β,17,21-trihydroxypregna-1,4-diene-3,11,20-trione
Synonym  Source
(1R,3aS,3bS,5R,9aR,9bS,11aS)-1,5-dihydroxy-1-(hydroxyacetyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,9a,9b,11,11a-decahydro-1H-cyclopenta[a]phenanthrene-7,10-dioneIUPAC
Citations