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CHEBI:68603 - betamethasone phosphate

Default Structure
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:
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.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
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