CHEBI:194332 - bufol

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ChEBI Name bufol ChEBI ID CHEBI:194332 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 C27H48O5 Net Charge 0 Average Mass 452.676 Monoisotopic Mass 452.35017 InChI InChI=1S/C27H48O5/c1-16(6-5-10-25(2,32)15-28)19-7-8-20-24-21(14-23(31)27(19,20)4)26(3)11-9-18(29)12-17(26)13-22(24)30/h16-24,28-32H,5-15H2,1-4H3/t16-,17?,18-,19-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1 InChIKey XZDHXPDYLPEFQI-ISAQQHIZSA-N SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)(O)CO Roles Classification Biological Role(s): farnesoid X receptor agonist An agonist that binds to and activates farnesoid X receptors View more via ChEBI Ontology ChEBI Ontology Outgoing bufol (CHEBI:194332) has role farnesoid X receptor agonist (CHEBI:132972) bufol (CHEBI:194332) is a 12α-hydroxy steroid (CHEBI:36846) bufol (CHEBI:194332) is a 25-hydroxy steroid (CHEBI:36864) bufol (CHEBI:194332) is a 26-hydroxy steroid (CHEBI:36852) bufol (CHEBI:194332) is a 3α-hydroxy steroid (CHEBI:36835) bufol (CHEBI:194332) is a 7α-hydroxy steroid (CHEBI:36843) bufol (CHEBI:194332) is a bile alcohol (CHEBI:50420) Incoming 5α-bufol (CHEBI:182127) is a bufol (CHEBI:194332) 5β-bufol (CHEBI:194331) is a bufol (CHEBI:194332) IUPAC Name cholestane-3α,7α,12α,25,26-pentol Synonym Source (1R,3aS,3bR,4R,7R,9aS,9bS,11S,11aR)-1-[(2R)-6,7-dihydroxy-6-methylheptan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-4,7,11-triol ChEBI Citation Type Source 16300737 PubMed citation Europe PMC Last Modified 31 January 2023