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CHEBI:28697 - 21-deoxycortisol

ChEBI IDCHEBI:28697
ChEBI Name21-deoxycortisol
Stars
DefinitionA deoxycortisol that is 17ξ-pregn-4-ene-3,20-dione substituted by a β-hydroxy group at position 11 and an α-hydroxy group at position 17. It is a marker of virilizing adrenal hyperplasia caused by 21-hydroxylase deficiency.
Secondary ChEBI IDsCHEBI:1297, CHEBI:19801
Last Modified9 January 2020
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILES[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1
InChIKeyLCZBQMKVFQNSJR-UJPCIWJBSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood (UBERON:0000178) PubMed (17456574)
blood serum (BTO:0000133) PubMed (16551734)
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 blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
21-deoxycortisol (CHEBI:28697) has role human blood serum metabolite (CHEBI:85234)
21-deoxycortisol (CHEBI:28697) has role mouse metabolite (CHEBI:75771)
21-deoxycortisol (CHEBI:28697) is a 11β-hydroxy steroid (CHEBI:35346)
21-deoxycortisol (CHEBI:28697) is a 17α-hydroxy-C21-steroid (CHEBI:138141)
21-deoxycortisol (CHEBI:28697) is a deoxycortisol (CHEBI:23618)
21-deoxycortisol (CHEBI:28697) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
11β,17-dihydroxypregn-4-ene-3,20-dione
Synonyms  Source
21-deoxycortisolKEGG COMPOUND
4-pregnene-11β,17α-diol-3,20-dioneKEGG COMPOUND
11β,17-dihydroxyprogesteroneHMDB
(1R,3aS,3bS,9aR,9bS,10S,11aS)-1-acetyl-1,10-dihydroxy-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[a]phenanthren-7-oneChEBI
11β,17α-dihydroxyprogesteroneHMDB
pregn-4-ene-11β,17α-diol-3,20-dioneHMDB
Manual XrefsDatabases
C05497KEGG COMPOUND
LMST02030195LIPID MAPS
HMDB0004030HMDB
FDB023283FooDB
21-DeoxycortisolWikipedia
Registry NumbersSources
CAS:641-77-0ChemIDplus
Citations