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CHEBI:68603 - betamethasone phosphate

ChEBI IDCHEBI:68603
ChEBI Namebetamethasone phosphate
Stars
DefinitionA steroid phosphate that is the 21-O-phospho derivative of betamethasone.
Last Modified7 February 2018
Submitternamrata
DownloadsMolfile
FormulaC22H30FO8P
Net Charge0
Average Mass472.446
Monoisotopic Mass472.16623
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)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
InChIKeyVQODGRNSFPNSQE-DVTGEIKXSA-N
Roles Classification
Biological Role:
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
ChEBI Ontology
Outgoing Relation(s)
betamethasone phosphate (CHEBI:68603) has functional parent betamethasone (CHEBI:3077)
betamethasone phosphate (CHEBI:68603) has role anti-inflammatory agent (CHEBI:67079)
betamethasone phosphate (CHEBI:68603) has role immunosuppressive agent (CHEBI:35705)
betamethasone phosphate (CHEBI:68603) is a 11β-hydroxy steroid (CHEBI:35346)
betamethasone phosphate (CHEBI:68603) is a 17α-hydroxy steroid (CHEBI:35342)
betamethasone phosphate (CHEBI:68603) is a 20-oxo steroid (CHEBI:36885)
betamethasone phosphate (CHEBI:68603) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
betamethasone phosphate (CHEBI:68603) is a fluorinated steroid (CHEBI:50830)
betamethasone phosphate (CHEBI:68603) is a steroid phosphate (CHEBI:36944)
betamethasone phosphate (CHEBI:68603) is a tertiary α-hydroxy ketone (CHEBI:139592)
betamethasone phosphate (CHEBI:68603) is conjugate acid of betamethasone phosphate(2−) (CHEBI:68604)
Incoming Relation(s)
betamethasone phosphate(2−) (CHEBI:68604) is conjugate base of betamethasone phosphate (CHEBI:68603)
IUPAC Name 
(11β,16β)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate
Synonym  Source
betamethasone 21-phosphateChEBI
Manual XrefsDatabases
4667DrugCentral
Citations