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CHEBI:28324 - 11-deoxycortisol

ChEBI IDCHEBI:28324
ChEBI Name11-deoxycortisol
Stars
DefinitionA deoxycortisol that is cortisol in which the hydroxy group at position 11 has been replaced by a hydrogen.
Secondary ChEBI IDsCHEBI:714, CHEBI:19124
Last Modified6 February 2018
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO
InChIInChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
InChIKeyWHBHBVVOGNECLV-OBQKJFGGSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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.
ChEBI Ontology
Outgoing Relation(s)
11-deoxycortisol (CHEBI:28324) has role human metabolite (CHEBI:77746)
11-deoxycortisol (CHEBI:28324) has role mouse metabolite (CHEBI:75771)
11-deoxycortisol (CHEBI:28324) is a deoxycortisol (CHEBI:23618)
11-deoxycortisol (CHEBI:28324) is a glucocorticoid (CHEBI:24261)
11-deoxycortisol (CHEBI:28324) is a primary α-hydroxy ketone (CHEBI:139590)
11-deoxycortisol (CHEBI:28324) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
17,21-dihydroxypregn-4-ene-3,20-dione
Synonyms  Source
11-DeoxycortisolKEGG COMPOUND
11-desoxy-17-hydroxycorticosteroneChemIDplus
cortodoxoneChemIDplus
CortodoxoneKEGG COMPOUND
UniProt Name  Source
11-deoxycortisolUniProt
Manual XrefsDatabases
C05488KEGG COMPOUND
CortexoloneWikipedia
D03595KEGG DRUG
HMDB0000015HMDB
LMST02030086LIPID MAPS
Registry NumbersSources
Reaxys:2511358Reaxys
CAS:152-58-9KEGG COMPOUND
CAS:152-58-9ChemIDplus
Citations