CHEBI:81299 - ω-muricholic acid

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ChEBI Name ω-muricholic acid ChEBI ID CHEBI:81299 ChEBI ASCII Name omega-muricholic acid Definition A member of the class of muricholic acids in which the hydroxy groups at positions 6 and 7 have α and β configuration, respectively. 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 C24H40O5 Net Charge 0 Average Mass 408.572 Monoisotopic Mass 408.28757 InChI InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22-,23-,24-/m1/s1 InChIKey DKPMWHFRUGMUKF-NTPBNISXSA-N SMILES C1[C@H](C[C@@]2([C@](C1)([C@@]3([C@@]([C@H]([C@@H]2O)O)([C@@]4([H])[C@@](CC3)(C)[C@](CC4)([C@@H](CCC(O)=O)C)[H])[H])[H])C)[H])O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing ω-muricholic acid (CHEBI:81299) is a muricholic acids (CHEBI:134216) IUPAC Name 3α,6α,7β-trihydroxy-5β-cholan-24-oic acid Synonyms Sources (3α,5β,6α,7β)-3,6,7-trihydroxycholan-24-oic acid IUPAC ω-MCA ChEBI Manual Xrefs Databases C17727 KEGG COMPOUND LMST04010065 LIPID MAPS View more database links Registry Number Type Source 3221236 Reaxys Registry Number Reaxys Citations Types Sources 10216137 PubMed citation Europe PMC 15604514 PubMed citation Europe PMC 20659429 PubMed citation Europe PMC 403022 PubMed citation Europe PMC 485143 PubMed citation Europe PMC 6824314 PubMed citation Europe PMC Last Modified 05 January 2017