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CHEBI:145706 - prednisolone phosphate(2−)

ChEBI IDCHEBI:145706
ChEBI Nameprednisolone phosphate(2−)
Stars
ASCII Nameprednisolone phosphate(2-)
DefinitionA steroid phosphate oxoanion which is the dianion obtained by the deprotonation of the phosphate OH groups of prednisolone phosphate.
Last Modified19 December 2019
SubmitterAdnan
DownloadsMolfile
FormulaC21H27O8P
Net Charge-2
Average Mass438.413
Monoisotopic Mass438.14545
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)C=C[C@@]21C
InChIInChI=1S/C21H29O8P/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/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/p-2/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKeyJDOZJEUDSLGTLU-VWUMJDOOSA-L
ChEBI Ontology
Outgoing Relation(s)
prednisolone phosphate(2−) (CHEBI:145706) is a steroid phosphate oxoanion (CHEBI:68607)
prednisolone phosphate(2−) (CHEBI:145706) is conjugate base of prednisolone phosphate (CHEBI:145705)
Incoming Relation(s)
prednisolone sodium phosphate (CHEBI:8379) has part prednisolone phosphate(2−) (CHEBI:145706)
prednisolone phosphate (CHEBI:145705) is conjugate acid of prednisolone phosphate(2−) (CHEBI:145706)
IUPAC Name 
11β,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl phosphate