CHEBI:52030 - murideoxycholic acid

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ChEBI Name murideoxycholic acid ChEBI ID CHEBI:52030 Definition A 3α-hydroxy steroid that is cholan-24-oic acid substituted by hydroxy groups at positions 3 and 6. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21-,23-,24-/m1/s1 InChIKey DGABKXLVXPYZII-PLYQRAMGSA-N SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O Metabolite of Species Details Mus musculus (NCBI:txid10090) See: PubMed Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing murideoxycholic acid (CHEBI:52030) has functional parent cholic acid (CHEBI:16359) murideoxycholic acid (CHEBI:52030) has role human metabolite (CHEBI:77746) murideoxycholic acid (CHEBI:52030) has role mouse metabolite (CHEBI:75771) murideoxycholic acid (CHEBI:52030) is a 3α-hydroxy steroid (CHEBI:36835) murideoxycholic acid (CHEBI:52030) is a 6β-hydroxy steroid (CHEBI:36851) murideoxycholic acid (CHEBI:52030) is conjugate acid of murideoxycholate (CHEBI:58876) Incoming murideoxycholate (CHEBI:58876) is conjugate base of murideoxycholic acid (CHEBI:52030) IUPAC Name 3α,6β-dihydroxycholan-24-oic acid Synonyms Sources 3alpha,6beta-Dihydroxy-5beta-cholanic acid SUBMITTER 3alpha,6beta-Dihydroxy-5beta-cholanic acid KEGG COMPOUND 6beta-Hydroxylithocholate SUBMITTER 6beta-Hydroxylithocholate KEGG COMPOUND 6β-hydroxylithocholic acid SUBMITTER Murideoxycholate KEGG COMPOUND Murocholic acid HMDB Manual Xrefs Databases C15515 KEGG COMPOUND HMDB0000811 HMDB LMST04010025 LIPID MAPS View more database links Citations Types Sources 24399466 PubMed citation Europe PMC 8315264 PubMed citation Europe PMC Last Modified 11 November 2014