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> Main
CHEBI:5781 - cortisol sodium phosphate
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ChEBI Ontology
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ChEBI Name
cortisol sodium phosphate
ChEBI ID
CHEBI:5781
Definition
An organic sodium salt that is the disodium salt of cortisol phosphate.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C21H29O8P.2Na
Net Charge
0
Average Mass
486.40346
Monoisotopic Mass
486.13954
InChI
InChI=1S/C21H31O8P.2Na/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)
;;/q;2*+1/p-
2/t14-
,15-
,16-
,18+,19-
,20-
,21-
;;/m0../s1
InChIKey
RYJIRNNXCHOUTQ-OJJGEMKLSA-L
SMILES
[Na+]
.[Na+]
.[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 sodium phosphate (
CHEBI:5781
)
has part
cortisol phosphate(2−) (
CHEBI:68633
)
cortisol sodium phosphate (
CHEBI:5781
)
is a
organic sodium salt (
CHEBI:38700
)
IUPAC Name
disodium 11β,17-dihydroxy-3,20-dioxopregn-4-en-21-yl phosphate
Synonyms
Sources
Cortisol 21-(disodium phosphate)
ChemIDplus
Cortisol 21-phosphate
ChemIDplus
Hydrocortisone 21-sodium phosphate
ChemIDplus
Hydrocortisone disodium phosphate
ChemIDplus
Hydrocortisone Sodium Phosphate
KEGG DRUG
Hydrocortone Phosphate
ChemIDplus
Sodium hydrocortisone 21-phosphate
ChemIDplus
Manual Xrefs
Databases
D00977
KEGG DRUG
DB00741
DrugBank
View more database links
Registry Number
Type
Source
6000-74-4
CAS Registry Number
KEGG DRUG
Last Modified
31 May 2016