EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68638 - dexamethasone phosphate(2−)

ChEBI IDCHEBI:68638
ChEBI Namedexamethasone phosphate(2−)
Stars
ASCII Namedexamethasone phosphate(2-)
DefinitionA steroid phosphate oxoanion obtained by deprotonation of the phosphate OH groups of dexamethasone phosphate.
Last Modified13 March 2013
Submitternamrata
DownloadsMolfile
FormulaC22H28FO8P
Net Charge-2
Average Mass470.430
Monoisotopic Mass470.15168
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@@]21C
InChIInChI=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+/m1/s1
InChIKeyVQODGRNSFPNSQE-CXSFZGCWSA-L
ChEBI Ontology
Outgoing Relation(s)
dexamethasone phosphate(2−) (CHEBI:68638) is a steroid phosphate oxoanion (CHEBI:68607)
dexamethasone phosphate(2−) (CHEBI:68638) is conjugate base of dexamethasone phosphate (CHEBI:68637)
Incoming Relation(s)
dexamethasone sodium phosphate (CHEBI:4462) has part dexamethasone phosphate(2−) (CHEBI:68638)
dexamethasone phosphate (CHEBI:68637) is conjugate acid of dexamethasone phosphate(2−) (CHEBI:68638)
IUPAC Name 
(11β,16α)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl phosphate