CHEBI:57782 - cortisol 21-sulfate(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cortisol 21-sulfate(1−)
ChEBI ID CHEBI:57782
ChEBI ASCII Name cortisol 21-sulfate(1-)
Definition Conjugate base of cortisol 21-sulfate arising from deprotonation of the sulfate OH; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H29O8S
Net Charge -1
Average Mass 441.51500
Monoisotopic Mass 441.15886
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)/p-1/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKey JOVLCJDINAUYJW-VWUMJDOOSA-M
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
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
cortisol 21-sulfate UniProt
cortisol 21-sulfate anion ChEBI
Registry Number Type Source
5182572 Beilstein Registry Number Beilstein
Last Modified
13 November 2017