CHEBI:180929 - 6α-hydroxyprednisone

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ChEBI Name 6α-hydroxyprednisone
ChEBI ID CHEBI:180929
ChEBI ASCII Name 6alpha-hydroxyprednisone
Definition A glucocorticoid that is prednisone carrying a hydroxy group at the 6α position. It is a metabolite of prednisone found in human urine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter R. Stephan
Supplier Information
Download Molfile XML SDF
Formula C21H26O6
Net Charge 0
Average Mass 374.433
Monoisotopic Mass 374.17294
InChI InChI=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
InChIKey RBABUXAIODUPQG-ZPSUVKRCSA-N
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@]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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 6α-hydroxyprednisone (CHEBI:180929) has functional parent prednisone (CHEBI:8382)
6α-hydroxyprednisone (CHEBI:180929) has role human urinary metabolite (CHEBI:84087)
6α-hydroxyprednisone (CHEBI:180929) is a 11-oxo steroid (CHEBI:47787)
6α-hydroxyprednisone (CHEBI:180929) is a 17α-hydroxy steroid (CHEBI:35342)
6α-hydroxyprednisone (CHEBI:180929) is a 20-oxo steroid (CHEBI:36885)
6α-hydroxyprednisone (CHEBI:180929) is a 21-hydroxy steroid (CHEBI:35344)
6α-hydroxyprednisone (CHEBI:180929) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
6α-hydroxyprednisone (CHEBI:180929) is a 6α-hydroxy steroid (CHEBI:36850)
6α-hydroxyprednisone (CHEBI:180929) is a C21-steroid (CHEBI:61313)
6α-hydroxyprednisone (CHEBI:180929) is a glucocorticoid (CHEBI:24261)
6α-hydroxyprednisone (CHEBI:180929) is a primary α-hydroxy ketone (CHEBI:139590)
6α-hydroxyprednisone (CHEBI:180929) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
6α,17,21-trihydroxypregna-1,4-diene-3,11,20-trione
Synonym Source
(1R,3aS,3bS,5S,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-dione IUPAC
Citation Waiting for Citations Type Source
25800201 PubMed citation SUBMITTER
Last Modified
19 October 2021