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CHEBI:57782 - cortisol 21-sulfate(1−)

ChEBI IDCHEBI:57782
ChEBI Namecortisol 21-sulfate(1−)
Stars
ASCII Namecortisol 21-sulfate(1-)
DefinitionConjugate base of cortisol 21-sulfate arising from deprotonation of the sulfate OH; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC21H29O8S
Net Charge-1
Average Mass441.522
Monoisotopic Mass441.15886
SMILES[H][C@@]12CC[C@](O)(C(=O)COS(=O)(=O)[O-])[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C
InChIInChI=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)/p-1/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKeyJOVLCJDINAUYJW-VWUMJDOOSA-M
ChEBI Ontology
Outgoing Relation(s)
cortisol 21-sulfate(1−) (CHEBI:57782) is a steroid sulfate oxoanion (CHEBI:59696)
cortisol 21-sulfate(1−) (CHEBI:57782) is conjugate base of cortisol 21-sulfate (CHEBI:16473)
Incoming Relation(s)
cortisol 21-sulfate (CHEBI:16473) is conjugate acid of cortisol 21-sulfate(1−) (CHEBI:57782)
IUPAC Name 
11β,17-dihydroxy-3,20-dioxopregn-4-en-21-yl sulfate
Synonym  Source
cortisol 21-sulfate anionChEBI
UniProt Name  Source
cortisol 21-sulfateUniProt
Registry NumbersSources
Beilstein:5182572Beilstein