CHEBI:180697 - 6β-hydroxyprednisolone

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ChEBI Name 6β-hydroxyprednisolone
ChEBI ID CHEBI:180697
ChEBI ASCII Name 6beta-hydroxyprednisolone
Definition A glucocorticoid that is prednisolone carrying a hydroxy group at the 6β position. It is a metabolite of prednisolone found in human urine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter R. Stephan
Supplier Information
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Formula C21H28O6
Net Charge 0
Average Mass 376.449
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/h3,5,7,12-13,15-16,18,22,24-25,27H,4,6,8-10H2,1-2H3/t12-,13-,15+,16-,18+,19-,20-,21-/m0/s1
InChIKey LJGWPGVRXUUNAG-UJXAPRPESA-N
SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Roles Classification
Biological Role(s): 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.
(via steroid hormone )
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ChEBI Ontology
Outgoing 6β-hydroxyprednisolone (CHEBI:180697) has functional parent prednisolone (CHEBI:8378)
6β-hydroxyprednisolone (CHEBI:180697) has role human urinary metabolite (CHEBI:84087)
6β-hydroxyprednisolone (CHEBI:180697) is a 11β-hydroxy steroid (CHEBI:35346)
6β-hydroxyprednisolone (CHEBI:180697) is a 17α-hydroxy steroid (CHEBI:35342)
6β-hydroxyprednisolone (CHEBI:180697) is a 20-oxo steroid (CHEBI:36885)
6β-hydroxyprednisolone (CHEBI:180697) is a 21-hydroxy steroid (CHEBI:35344)
6β-hydroxyprednisolone (CHEBI:180697) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
6β-hydroxyprednisolone (CHEBI:180697) is a 6β-hydroxy steroid (CHEBI:36851)
6β-hydroxyprednisolone (CHEBI:180697) is a C21-steroid (CHEBI:61313)
6β-hydroxyprednisolone (CHEBI:180697) is a glucocorticoid (CHEBI:24261)
6β-hydroxyprednisolone (CHEBI:180697) is a primary α-hydroxy ketone (CHEBI:139590)
6β-hydroxyprednisolone (CHEBI:180697) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
6β,11β,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
Synonym Source
(1R,3aS,3bS,5R,9aR,9bS,10S,11aS)-1,5,10-trihydroxy-1-(hydroxyacetyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,9a,9b,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one IUPAC
Registry Number Type Source
16355-29-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10975239 PubMed citation Europe PMC
25800201 PubMed citation SUBMITTER
9551805 PubMed citation Europe PMC
Last Modified
19 October 2021