CHEBI:77317 - SR12813

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ChEBI Name SR12813 ChEBI ID CHEBI:77317 Definition An organic phosphonate that is the tetraethyl ester of [2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethene-1,1-diyl]bis(phosphonic acid). Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C24H42O7P2 Net Charge 0 Average Mass 504.53360 Monoisotopic Mass 504.24058 InChI InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3 InChIKey YQLJDECYQDRSBI-UHFFFAOYSA-N SMILES CCOP(=O)(OCC)C(=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC Roles Classification Biological Role(s): pregnane X receptor agonist An agonist that selectively binds to and activates a pregnane X receptor. View more via ChEBI Ontology ChEBI Ontology Outgoing SR12813 (CHEBI:77317) has role pregnane X receptor agonist (CHEBI:77318) SR12813 (CHEBI:77317) is a organic phosphonate (CHEBI:37592) SR12813 (CHEBI:77317) is a phenols (CHEBI:33853) IUPAC Name tetraethyl [2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethene-1,1-diyl]bis(phosphonate) Synonyms Sources GW 485801 KEGG COMPOUND SR-12813 ChEBI Manual Xrefs Databases C15628 KEGG COMPOUND DB04466 DrugBank LSM-37165 LINCS SRL PDBeChem View more database links Registry Numbers Types Sources 11245228 Reaxys Registry Number Reaxys 126411-39-0 CAS Registry Number KEGG COMPOUND Citations Types Sources 15247248 PubMed citation Europe PMC 24486481 PubMed citation Europe PMC 8662919 PubMed citation Europe PMC 9193879 PubMed citation Europe PMC 9298680 PubMed citation Europe PMC Last Modified 26 February 2016