CHEBI:5781 - cortisol sodium phosphate

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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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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