CHEBI:68604 - betamethasone phosphate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name betamethasone phosphate(2−)
ChEBI ID CHEBI:68604
ChEBI ASCII Name betamethasone phosphate(2-)
Definition A steroid phosphate oxoanion which is the dianion obtained by the deprotonation of the phosphate OH groups of betamethasone phosphate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H28FO8P
Net Charge -2
Average Mass 470.42510
Monoisotopic Mass 470.15168
InChI InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/p-2/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
InChIKey VQODGRNSFPNSQE-DVTGEIKXSA-L
SMILES [H][C@@]12C[C@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
ChEBI Ontology
Outgoing betamethasone phosphate(2−) (CHEBI:68604) is a steroid phosphate oxoanion (CHEBI:68607)
betamethasone phosphate(2−) (CHEBI:68604) is conjugate base of betamethasone phosphate (CHEBI:68603)
Incoming betamethasone sodium phosphate (CHEBI:3078) has part betamethasone phosphate(2−) (CHEBI:68604)
betamethasone phosphate (CHEBI:68603) is conjugate acid of betamethasone phosphate(2−) (CHEBI:68604)
IUPAC Name
(11β,16β)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl phosphate
Last Modified
13 March 2013