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CHEBI:68634 - cortisol phosphate

Default Structure
ChEBI IDCHEBI:68634
ChEBI Namecortisol phosphate
Stars
DefinitionA steroid phosphate that is the 21-O-phospho derivative of cortisol.
Last Modified7 February 2018
Submitternamrata
DownloadsMolfile
FormulaC21H31O8P
Net Charge0
Average Mass442.445
Monoisotopic Mass442.17565
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
InChIInChI=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
InChIKeyBGSOJVFOEQLVMH-VWUMJDOOSA-N
ChEBI Ontology
Outgoing Relation(s)
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-Δ4 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 Relation(s)
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  Source
Cortisol 21-phosphateChemIDplus
Cortisol phosphateChemIDplus
Hydrocortisone 21-phosphateChemIDplus
Registry NumbersSources
Reaxys:3182634Reaxys
CAS:3863-59-0ChemIDplus
Citations