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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:68634 - cortisol phosphate
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ChEBI Ontology
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ChEBI Name
cortisol phosphate
ChEBI ID
CHEBI:68634
Definition
A steroid phosphate that is the 21-
O
-phospho derivative of cortisol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H31O8P
Net Charge
0
Average Mass
442.43980
Monoisotopic Mass
442.17565
InChI
InChI=1S/C21H31O8P/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,(H2,26,27,28)
/t14-
,15-
,16-
,18+,19-
,20-
,21-
/m0/s1
InChIKey
BGSOJVFOEQLVMH-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)COP(O)(O)=O
ChEBI Ontology
Outgoing
cortisol phosphate (
CHEBI:68634
)
is a
11β-hydroxy steroid (
CHEBI:35346
)
cortisol phosphate (
CHEBI:68634
)
is a
17α-hydroxy steroid (
CHEBI:35342
)
cortisol phosphate (
CHEBI:68634
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
cortisol phosphate (
CHEBI:68634
)
is a
cortisol ester (
CHEBI:23396
)
cortisol phosphate (
CHEBI:68634
)
is a
steroid phosphate (
CHEBI:36944
)
cortisol phosphate (
CHEBI:68634
)
is a
tertiary α-hydroxy ketone (
CHEBI:139592
)
cortisol phosphate (
CHEBI:68634
)
is conjugate acid of
cortisol phosphate(2−) (
CHEBI:68633
)
Incoming
cortisol phosphate(2−) (
CHEBI:68633
)
is conjugate base of
cortisol phosphate (
CHEBI:68634
)
IUPAC Name
(11β)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl dihydrogen phosphate
Synonyms
Sources
Cortisol 21-phosphate
ChemIDplus
Cortisol phosphate
ChemIDplus
Hydrocortisone 21-phosphate
ChemIDplus
Registry Numbers
Types
Sources
3182634
Reaxys Registry Number
Reaxys
3863-59-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
1894035
PubMed citation
Europe PMC
Last Modified
07 February 2018