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ChEBI
> Main
CHEBI:16473 - cortisol 21-sulfate
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ChEBI Ontology
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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
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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-Δ
4
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