CHEBI:16473 - cortisol 21-sulfate

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ChEBI Name cortisol 21-sulfate ChEBI ID CHEBI:16473 Definition A steroid sulfate obtained by the formal condensation of hydroxy group at position 21 of cortisol with sulfuric acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:3895, CHEBI:14025, CHEBI:23395 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H30O8S Net Charge 0 Average Mass 442.52410 Monoisotopic Mass 442.16614 InChI InChI=1S/C21H30O8S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1 InChIKey JOVLCJDINAUYJW-VWUMJDOOSA-N SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)COS(O)(=O)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing cortisol 21-sulfate (CHEBI:16473) has role human metabolite (CHEBI:77746) cortisol 21-sulfate (CHEBI:16473) is a 11β-hydroxy steroid (CHEBI:35346) cortisol 21-sulfate (CHEBI:16473) is a 17α-hydroxy steroid (CHEBI:35342) cortisol 21-sulfate (CHEBI:16473) is a 20-oxo steroid (CHEBI:36885) cortisol 21-sulfate (CHEBI:16473) is a 3-oxo-Δ4 steroid (CHEBI:47909) cortisol 21-sulfate (CHEBI:16473) is a cortisol ester (CHEBI:23396) cortisol 21-sulfate (CHEBI:16473) is a steroid sulfate (CHEBI:16158) cortisol 21-sulfate (CHEBI:16473) is a tertiary α-hydroxy ketone (CHEBI:139592) cortisol 21-sulfate (CHEBI:16473) is conjugate acid of cortisol 21-sulfate(1−) (CHEBI:57782) Incoming cortisol 21-sulfate(1−) (CHEBI:57782) is conjugate base of cortisol 21-sulfate (CHEBI:16473) IUPAC Name 11β,17-dihydroxy-3,20-dioxopregn-4-en-21-yl hydrogen sulfate Synonyms Sources (11beta)-11,17-Dihydroxy-21-(sulfooxy)pregn-4-ene-3,20-dione ChemIDplus 11,17-Dihydroxy-4-pregnene-3,20-dione-21-yl-sulfate ChemIDplus Cortisol 21-sulfate KEGG COMPOUND Cortisol-21-sulfate ChemIDplus Manual Xref Database C02822 KEGG COMPOUND View more database links Registry Numbers Types Sources 1253-43-6 CAS Registry Number ChemIDplus 2404797 Reaxys Registry Number Reaxys Citations Types Sources 2152866 PubMed citation Europe PMC 24392764 PubMed citation Europe PMC 5012753 PubMed citation Europe PMC 5857563 PubMed citation Europe PMC 8650705 PubMed citation Europe PMC Last Modified 07 February 2018