CHEBI:9907 - ursodeoxycholic acid

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ChEBI Name ursodeoxycholic acid ChEBI ID CHEBI:9907 Definition A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB1285736, eMolecules:533157, eMolecules:29541168, eMolecules:32456315, Selleckchem:Ursodiol(Actigal), ZINC000003914809 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C24H40O4 Net Charge 0 Average Mass 392.57200 Monoisotopic Mass 392.29266 InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1 InChIKey RUDATBOHQWOJDD-UZVSRGJWSA-N SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@@H](O)C2)[C@H](C)CCC(O)=O Metabolite of Species Details Mus musculus (NCBI:txid10090) See: PubMed Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing ursodeoxycholic acid (CHEBI:9907) has role human metabolite (CHEBI:77746) ursodeoxycholic acid (CHEBI:9907) has role mouse metabolite (CHEBI:75771) ursodeoxycholic acid (CHEBI:9907) is a bile acid (CHEBI:3098) ursodeoxycholic acid (CHEBI:9907) is a C24-steroid (CHEBI:131620) ursodeoxycholic acid (CHEBI:9907) is a dihydroxy-5β-cholanic acid (CHEBI:23775) ursodeoxycholic acid (CHEBI:9907) is conjugate acid of ursodeoxycholate (CHEBI:78604) Incoming 3α,7β-dihydroxy-12-oxo-5β-cholanic acid (CHEBI:138401) has functional parent ursodeoxycholic acid (CHEBI:9907) glycoursodeoxycholic acid (CHEBI:89929) has functional parent ursodeoxycholic acid (CHEBI:9907) tauroursodeoxycholic acid (CHEBI:80774) has functional parent ursodeoxycholic acid (CHEBI:9907) ursodeoxycholoyl-CoA (CHEBI:138379) has functional parent ursodeoxycholic acid (CHEBI:9907) ursodeoxycholate (CHEBI:78604) is conjugate base of ursodeoxycholic acid (CHEBI:9907) IUPAC Name 3α,7β-dihydroxy-5β-cholan-24-oic acid Synonyms Sources (3α,5β,7β)-3,7-dihydroxycholan-24-oic acid ChemIDplus 3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid KEGG COMPOUND Actigall ChemIDplus Ursodeoxycholate KEGG COMPOUND Ursodeoxycholic acid KEGG COMPOUND Ursodiol KEGG COMPOUND Manual Xrefs Databases 2797 DrugCentral C07880 KEGG COMPOUND D00734 KEGG DRUG DB01586 DrugBank HMDB0000946 HMDB LMST04010033 LIPID MAPS LSM-6555 LINCS Ursodiol Wikipedia View more database links Registry Numbers Types Sources 128-13-2 CAS Registry Number KEGG COMPOUND 128-13-2 CAS Registry Number ChemIDplus 3219888 Reaxys Registry Number Reaxys Citations Types Sources 14989050 PubMed citation Europe PMC 17489439 PubMed citation Europe PMC 24816727 PubMed citation Europe PMC Last Modified 07 September 2017