CHEBI:81253 - isolithocholic acid

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ChEBI Name isolithocholic acid ChEBI ID CHEBI:81253 Definition A monohydroxy-5β-cholanic acid with a β-hydroxy substituent at position 3. The 3β-hydroxy epimer of lithocholic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:88092 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 C24H40O3 Net Charge 0 Average Mass 376.574 Monoisotopic Mass 376.29775 InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17+,18+,19-,20+,21+,23+,24-/m1/s1 InChIKey SMEROWZSTRWXGI-WFVDQZAMSA-N SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)[H])C Metabolite of Species Details Rattus norvegicus (NCBI:txid10116) 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). rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. View more via ChEBI Ontology ChEBI Ontology Outgoing isolithocholic acid (CHEBI:81253) has role human metabolite (CHEBI:77746) isolithocholic acid (CHEBI:81253) has role rat metabolite (CHEBI:86264) isolithocholic acid (CHEBI:81253) has role xenobiotic metabolite (CHEBI:76206) isolithocholic acid (CHEBI:81253) is a 3β-hydroxy steroid (CHEBI:36836) isolithocholic acid (CHEBI:81253) is a bile acid (CHEBI:3098) isolithocholic acid (CHEBI:81253) is a C24-steroid (CHEBI:131620) isolithocholic acid (CHEBI:81253) is a monohydroxy-5β-cholanic acid (CHEBI:36260) isolithocholic acid (CHEBI:81253) is conjugate acid of isolithocholate (CHEBI:87728) Incoming isolithocholate (CHEBI:87728) is conjugate base of isolithocholic acid (CHEBI:81253) IUPAC Name 3β-hydroxy-5β-cholan-24-oic acid Synonyms Sources (3β,5β)-3-hydroxycholan-24-oic acid IUPAC (3beta,5beta)-3-Hydroxycholan-24-oic acid ChemIDplus 3-Epilithocholic acid KEGG COMPOUND 3beta-Hydroxy-5beta-cholan-24-oic acid KEGG COMPOUND 3β-lithocholic acid ChEBI beta-Lithocholanic acid KEGG COMPOUND beta-Lithocholic acid KEGG COMPOUND Manual Xrefs Databases C17658 KEGG COMPOUND HMDB0000713 HMDB LMST04010004 LIPID MAPS View more database links Registry Numbers Types Sources 1534-35-6 CAS Registry Number ChemIDplus 3217758 Reaxys Registry Number Reaxys Citations Types Sources 1011939 PubMed citation Europe PMC 10214695 PubMed citation Europe PMC 18039809 PubMed citation Europe PMC 24845039 PubMed citation Europe PMC 2932163 PubMed citation Europe PMC 3120571 PubMed citation Europe PMC 3778926 PubMed citation Europe PMC Last Modified 02 October 2015