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> Main
CHEBI:57782 - cortisol 21-sulfate(1−)
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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.
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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