CHEBI:28697 - 21-deoxycortisol

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 21-deoxycortisol ChEBI ID CHEBI:28697 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 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia 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 InChIKey LCZBQMKVFQNSJR-UJPCIWJBSA-N 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). View more via ChEBI Ontology 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) IUPAC Name 11β,17-dihydroxypregn-4-ene-3,20-dione 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 C05497 KEGG COMPOUND FDB023283 FooDB HMDB0004030 HMDB LMST02030195 LIPID MAPS View more database links Registry Number Type Source 641-77-0 CAS Registry Number ChemIDplus Citations Types Sources 10731638 PubMed citation Europe PMC 16551734 PubMed citation Europe PMC 17456574 PubMed citation Europe PMC 2531882 PubMed citation Europe PMC 2555382 PubMed citation Europe PMC 2614011 PubMed citation Europe PMC 2827419 PubMed citation Europe PMC 28499151 PubMed citation Europe PMC 28610588 PubMed citation Europe PMC 28774496 PubMed citation Europe PMC 2986404 PubMed citation Europe PMC 31450227 PubMed citation Europe PMC 3258316 PubMed citation Europe PMC 4372245 PubMed citation Europe PMC 6310249 PubMed citation Europe PMC 8055790 PubMed citation Europe PMC 845476 PubMed citation Europe PMC 8753277 PubMed citation Europe PMC Last Modified 09 January 2020