CHEBI:180920 - Δ6-prednisolone

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ChEBI Name Δ6-prednisolone
ChEBI ID CHEBI:180920
ChEBI ASCII Name Delta(6)-prednisolone
Definition A glucocorticoid that is prednisolone in which a double bond is introduced at position 6. 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
Download Molfile XML SDF
Formula C21H26O5
Net Charge 0
Average Mass 358.434
Monoisotopic Mass 358.17802
InChI InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h3-5,7,9,14-16,18,22,24,26H,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKey WFFSJFFZKKRVOE-VWUMJDOOSA-N
SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C=CC2=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 Δ6-prednisolone (CHEBI:180920) has functional parent prednisolone (CHEBI:8378)
Δ6-prednisolone (CHEBI:180920) has role human urinary metabolite (CHEBI:84087)
Δ6-prednisolone (CHEBI:180920) is a 11β-hydroxy steroid (CHEBI:35346)
Δ6-prednisolone (CHEBI:180920) is a 17α-hydroxy steroid (CHEBI:35342)
Δ6-prednisolone (CHEBI:180920) is a 20-oxo steroid (CHEBI:36885)
Δ6-prednisolone (CHEBI:180920) is a 21-hydroxy steroid (CHEBI:35344)
Δ6-prednisolone (CHEBI:180920) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
Δ6-prednisolone (CHEBI:180920) is a C21-steroid (CHEBI:61313)
Δ6-prednisolone (CHEBI:180920) is a glucocorticoid (CHEBI:24261)
Δ6-prednisolone (CHEBI:180920) is a primary α-hydroxy ketone (CHEBI:139590)
Δ6-prednisolone (CHEBI:180920) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
11β,17,21-trihydroxypregna-1,4,6-triene-3,20-dione
Synonyms Sources
(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-1-(hydroxyacetyl)-9a,11a-dimethyl-1,2,3,3a,3b,9a,9b,10,11,11a-decahydro-7H-cyclopenta[a]phenanthren-7-one IUPAC
6,7-dehydro-prednisolone SUBMITTER
6,7-dehydroprednisolone ChemIDplus
6-dehydro prednisolone ChEBI
Δ6-PRED SUBMITTER
delta6-prednisolone ChemIDplus
Registry Number Type Source
2427-64-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
25800201 PubMed citation SUBMITTER
660591 PubMed citation Europe PMC
Last Modified
19 October 2021