CHEBI:43419 - isoursodeoxycholic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name isoursodeoxycholic acid ChEBI ID CHEBI:43419 Definition A dihydroxy-5β-cholanic acid that is (5β)-cholan-24-oic acid substituted by β-hydroxy groups at positions 3 and 7. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:36236, CHEBI:43417 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 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-DNMBCGTGSA-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 Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing isoursodeoxycholic acid (CHEBI:43419) has role human metabolite (CHEBI:77746) isoursodeoxycholic acid (CHEBI:43419) is a dihydroxy-5β-cholanic acid (CHEBI:23775) isoursodeoxycholic acid (CHEBI:43419) is conjugate acid of isoursodeoxycholate (CHEBI:78602) Incoming isoursodeoxycholate (CHEBI:78602) is conjugate base of isoursodeoxycholic acid (CHEBI:43419) IUPAC Name 3β,7β-dihydroxy-5β-cholan-24-oic acid Synonyms Sources (3β,5β,7β)-3,7-dihydroxycholan-24-oic acid ChemIDplus 3beta,7beta-Dihydroxy-5beta-cholan-24-oic acid KEGG COMPOUND 3beta,7beta-Dihydroxy-5beta-cholanoic acid KEGG COMPOUND ISO-URSODEOXYCHOLIC ACID PDBeChem isoursodeoxycholic acid ChemIDplus Isoursodeoxycholic acid KEGG COMPOUND Manual Xrefs Databases C17662 KEGG COMPOUND HMDB0000686 HMDB IU5 PDBeChem LMST04010035 LIPID MAPS View more database links Registry Numbers Types Sources 4710930 Beilstein Registry Number Beilstein 4710930 Reaxys Registry Number Reaxys 78919-26-3 CAS Registry Number ChemIDplus Citations Types Sources 1918882 PubMed citation Europe PMC 1940629 PubMed citation Europe PMC 9126801 PubMed citation Europe PMC Last Modified 23 October 2015