CHEBI:28697 - 21-deoxycortisol

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ChEBI Name 21-deoxycortisol
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1297, CHEBI:19801
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Formula C21H30O4
Net Charge 0
Average Mass 346.467
Monoisotopic Mass 346.21441
InChI InChI=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
SMILES C1C(C=C2[C@](C1)([C@@]3([C@@](CC2)([C@]4([C@](C[C@@H]3O)([C@](CC4)(C(C)=O)O)C)[H])[H])[H])C)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: PubMed
Roles Classification
Biological Role(s): human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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ChEBI Ontology
Outgoing 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)
Synonyms Sources
(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-one ChEBI
11-β,17-α-dihydroxypregn-4-ene-3,20-dione ChemIDplus
11β,17-dihydroxyprogesterone HMDB
11β,17α-dihydroxypregn-4-ene-3,20-dione ChemIDplus
11β,17α-dihydroxyprogesterone HMDB
21-deoxycortisol KEGG COMPOUND
4-pregnene-11β,17α-diol-3,20-dione KEGG COMPOUND
pregn-4-ene-11β,17α-diol-3,20-dione HMDB
Manual Xrefs Databases
21-Deoxycortisol Wikipedia
FDB023283 FooDB
HMDB0004030 HMDB
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Registry Number Type Source
641-77-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10731638 PubMed citation Europe PMC
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Last Modified
09 January 2020