EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:89455 - 18-hydroxycortisol

ChEBI IDCHEBI:89455
ChEBI Name18-hydroxycortisol
Stars
DefinitionA 18-hydroxy steroid that is cortisol carrying a hydroxy group at position 18. Its urinary excretion is increased in patients with aldosterone-producing adenoma.
Last Modified30 March 2023
DownloadsMolfile
FormulaC21H30O6
Net Charge0
Average Mass378.465
Monoisotopic Mass378.20424
SMILES[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(CO)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C21H30O6/c1-19-6-4-13(24)8-12(19)2-3-14-15-5-7-21(27,17(26)10-22)20(15,11-23)9-16(25)18(14)19/h8,14-16,18,22-23,25,27H,2-7,9-11H2,1H3/t14-,15-,16-,18+,19-,20+,21-/m0/s1
InChIKeyHESFZGWRDUVOMS-UKSDXMLSSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (3995762)
blood (UBERON:0000178) PubMed (8038908)
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
18-hydroxycortisol (CHEBI:89455) has functional parent cortisol (CHEBI:17650)
18-hydroxycortisol (CHEBI:89455) has parent hydride pregnane (CHEBI:8386)
18-hydroxycortisol (CHEBI:89455) has role human urinary metabolite (CHEBI:84087)
18-hydroxycortisol (CHEBI:89455) is a 11β-hydroxy steroid (CHEBI:35346)
18-hydroxycortisol (CHEBI:89455) is a 17α-hydroxy-C21-steroid (CHEBI:138141)
18-hydroxycortisol (CHEBI:89455) is a 18-hydroxy steroid (CHEBI:36855)
18-hydroxycortisol (CHEBI:89455) is a 20-oxo steroid (CHEBI:36885)
18-hydroxycortisol (CHEBI:89455) is a 21-hydroxy steroid (CHEBI:35344)
18-hydroxycortisol (CHEBI:89455) is a 3-oxo-Δ4 steroid (CHEBI:47909)
18-hydroxycortisol (CHEBI:89455) is a glucocorticoid (CHEBI:24261)
18-hydroxycortisol (CHEBI:89455) is a primary α-hydroxy ketone (CHEBI:139590)
18-hydroxycortisol (CHEBI:89455) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
11β,17,18,21-tetrahydroxypregn-4-ene-3,20-dione
Synonyms  Source
(11β)-11,17,18,21-tetrahydroxypregn-4-ene-3,20-dioneChEBI
4-pregnene-11β,17,18,21-tetrol-3,20-dioneChEBI
(11β,17α)-11,17,18,21-tetrahydroxypregn-4-ene-3,20-dioneChEBI
UniProt Name  Source
18-hydroxycortisolUniProt
Manual XrefsDatabases
HMDB0000418HMDB
LMST02030295LIPID MAPS
FDB022033FooDB
18-HydroxycortisolWikipedia
Registry NumbersSources
CAS:86002-90-6ChEBI
Citations