CHEBI:81244 - hyocholic acid

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ChEBI Name hyocholic acid ChEBI ID CHEBI:81244 Definition A trihydroxy-5β-cholanic acid in which the three hydroxy substituents are located at the 3α-, 6α- and 7α-positions. 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 Wikipedia License Read full article at Wikipedia 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-KWXDGCAGSA-N SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H]([C@@H]([C@@]2(C[C@@H](C1)O)[H])O)O)[H])(CC[C@]4([H])[C@@H](CCC(O)=O)C)[H])C)[H])C Metabolite of Species Details Mus musculus (NCBI:txid10090) See: PubMed Rattus norvegicus (NCBI:txid10116) See: PubMed Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). 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): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). View more via ChEBI Ontology ChEBI Ontology Outgoing hyocholic acid (CHEBI:81244) has role human urinary metabolite (CHEBI:84087) hyocholic acid (CHEBI:81244) has role mouse metabolite (CHEBI:75771) hyocholic acid (CHEBI:81244) has role rat metabolite (CHEBI:86264) hyocholic acid (CHEBI:81244) is a 6α-hydroxy steroid (CHEBI:36850) hyocholic acid (CHEBI:81244) is a 7α-hydroxy steroid (CHEBI:36843) hyocholic acid (CHEBI:81244) is a C24-steroid (CHEBI:131620) hyocholic acid (CHEBI:81244) is a muricholic acids (CHEBI:134216) hyocholic acid (CHEBI:81244) is conjugate acid of hyocholate (CHEBI:133661) Incoming glycohyocholic acid (CHEBI:133176) has functional parent hyocholic acid (CHEBI:81244) hyocholic acid 24-O-(β-D-glucuronide) (CHEBI:137817) has functional parent hyocholic acid (CHEBI:81244) hyocholic acid 6-O-(β-D-glucuronide) (CHEBI:137829) has functional parent hyocholic acid (CHEBI:81244) hyocholate (CHEBI:133661) is conjugate base of hyocholic acid (CHEBI:81244) IUPAC Name 3α,6α,7α-trihydroxy-5β-cholan-24-oic acid Synonyms Sources (3α,5β,6α,7α)-3,6,7-trihydroxycholan-24-oic acid IUPAC (4R)-4-[(1S,2R,5R,7R,8R,9S,10S,11S,15R)-5,8,9-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid HMDB 5b-Cholanic acid-3a,6a,7a-triol HMDB 6alpha-Hydroxychenodeoxycholic acid KEGG COMPOUND gamma-Muricholic acid HMDB γ-muricholic acid HMDB Hyocholic acid KEGG COMPOUND Iocholic acid KEGG COMPOUND Manual Xrefs Databases C17649 KEGG COMPOUND HMDB0000760 HMDB LMST04010064 LIPID MAPS Muricholic_acid Wikipedia View more database links Registry Numbers Types Sources 3221235 Reaxys Registry Number Reaxys 547-75-1 CAS Registry Number ChemIDplus Citations Types Sources 10370651 PubMed citation Europe PMC 10388717 PubMed citation Europe PMC 22525741 PubMed citation Europe PMC 24212143 PubMed citation Europe PMC 27634100 PubMed citation Europe PMC 3179836 PubMed citation Europe PMC 4742563 PubMed citation Europe PMC 7619860 PubMed citation Europe PMC Last Modified 12 July 2017