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CHEBI:78600 - 11-dehydrocorticosterone

ChEBI IDCHEBI:78600
ChEBI Name11-dehydrocorticosterone
Stars
DefinitionAn 11-oxo steroid that is corticosterone in which the hydroxy substituent at the 11β position has been oxidised to give the corresponding ketone.
Secondary ChEBI IDCHEBI:711
Last Modified6 February 2018
Submitterlaimo
DownloadsMolfile
FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILES[H][C@@]12CC[C@]([H])(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3/t14-,15-,16+,19+,20-,21-/m0/s1
InChIKeyFUFLCEKSBBHCMO-KJQYFISQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
11-dehydrocorticosterone (CHEBI:78600) has functional parent corticosterone (CHEBI:16827)
11-dehydrocorticosterone (CHEBI:78600) has role human metabolite (CHEBI:77746)
11-dehydrocorticosterone (CHEBI:78600) has role mouse metabolite (CHEBI:75771)
11-dehydrocorticosterone (CHEBI:78600) is a 11-oxo steroid (CHEBI:47787)
11-dehydrocorticosterone (CHEBI:78600) is a 20-oxo steroid (CHEBI:36885)
11-dehydrocorticosterone (CHEBI:78600) is a 21-hydroxy steroid (CHEBI:35344)
11-dehydrocorticosterone (CHEBI:78600) is a 3-oxo-Δ4 steroid (CHEBI:47909)
11-dehydrocorticosterone (CHEBI:78600) is a corticosteroid (CHEBI:50858)
11-dehydrocorticosterone (CHEBI:78600) is a primary α-hydroxy ketone (CHEBI:139590)
Incoming Relation(s)
21-hydroxy-5β-pregnane-3,11,20-trione (CHEBI:1298) has functional parent 11-dehydrocorticosterone (CHEBI:78600)
Synonyms  Source
4-pregnen-21-ol- 3,11,20-trioneSUBMITTER
dehydrocorticosteroneChemIDplus
Δ4-pregnen-21-ol-3,11,20-trioneChEBI
17-deoxycortisoneChemIDplus
Kendall's compound AChemIDplus
11-oxo-11-deoxycorticosteroneChemIDplus
UniProt Name  Source
11-dehydrocorticosteroneUniProt
Manual XrefsDatabases
C05490KEGG COMPOUND
HMDB0004029HMDB
LMST02030192LIPID MAPS
US2778776Patent
Registry NumbersSources
Reaxys:3108660Reaxys
CAS:72-23-1KEGG COMPOUND
CAS:72-23-1ChemIDplus
Citations