CHEBI:180928 - Δ6-prednisone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Δ6-prednisone
ChEBI ID CHEBI:180928
ChEBI ASCII Name Delta(6)-prednisone
Definition A glucocorticoid that is prednisone in which a double bond is introduced at position 6. 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 C21H24O5
Net Charge 0
Average Mass 356.418
Monoisotopic Mass 356.16237
InChI InChI=1S/C21H24O5/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/h3-5,7,9,14-15,18,22,26H,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChIKey GEGKXSCVRMKKIM-ZPOLXVRWSA-N
SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Δ6-prednisone (CHEBI:180928) has functional parent prednisone (CHEBI:8382)
Δ6-prednisone (CHEBI:180928) has role human urinary metabolite (CHEBI:84087)
Δ6-prednisone (CHEBI:180928) is a 11-oxo steroid (CHEBI:47787)
Δ6-prednisone (CHEBI:180928) is a 17α-hydroxy steroid (CHEBI:35342)
Δ6-prednisone (CHEBI:180928) is a 20-oxo steroid (CHEBI:36885)
Δ6-prednisone (CHEBI:180928) is a 21-hydroxy steroid (CHEBI:35344)
Δ6-prednisone (CHEBI:180928) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
Δ6-prednisone (CHEBI:180928) is a C21-steroid (CHEBI:61313)
Δ6-prednisone (CHEBI:180928) is a glucocorticoid (CHEBI:24261)
Δ6-prednisone (CHEBI:180928) is a primary α-hydroxy ketone (CHEBI:139590)
Δ6-prednisone (CHEBI:180928) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
17,21-dihydroxypregna-1,4,6-triene-3,11,20-trione
Synonym Source
(1R,3aS,3bS,9aR,9bS,11aS)-1-hydroxy-1-(hydroxyacetyl)-9a,11a-dimethyl-2,3,3a,3b,9a,9b,11,11a-octahydro-1H-cyclopenta[a]phenanthrene-7,10-dione IUPAC
Citation Waiting for Citations Type Source
25800201 PubMed citation SUBMITTER
Last Modified
19 October 2021