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CHEBI:5781 - cortisol sodium phosphate

ChEBI IDCHEBI:5781
ChEBI Namecortisol sodium phosphate
Stars
DefinitionAn organic sodium salt that is the disodium salt of cortisol phosphate.
Last Modified31 May 2016
DownloadsMolfile
FormulaC21H29O8P.2Na
Net Charge0
Average Mass486.409
Monoisotopic Mass486.13954
SMILES[H][C@@]12CC[C@](O)(C(=O)COP(=O)([O-])[O-])[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21C.[Na+].[Na+]
InChIInChI=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
InChIKeyRYJIRNNXCHOUTQ-OJJGEMKLSA-L
ChEBI Ontology
Outgoing Relation(s)
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  Source
Hydrocortisone Sodium PhosphateKEGG DRUG
Cortisol 21-phosphateChemIDplus
Cortisol 21-(disodium phosphate)ChemIDplus
Hydrocortisone 21-sodium phosphateChemIDplus
Hydrocortisone disodium phosphateChemIDplus
Hydrocortone PhosphateChemIDplus
Manual XrefsDatabases
D00977KEGG DRUG
DB00741DrugBank
Registry NumbersSources
CAS:6000-74-4KEGG DRUG