CHEBI:133064 - tauro-β-muricholate

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ChEBI Name tauro-β-muricholate
ChEBI ID CHEBI:133064
ChEBI ASCII Name tauro-beta-muricholate
Definition A cholanic acid conjugate anion that is the conjugate base of tauro-β-muricholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H44NO7S
Net Charge -1
Average Mass 514.697
Monoisotopic Mass 514.28440
InChI InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/p-1/t15-,16-,17-,18+,19+,20+,22+,23+,24-,25-,26-/m1/s1
InChIKey XSOLDPYUICCHJX-UZUDEGBHSA-M
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([C@@H](CCC(NCCS([O-])(=O)=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
Biological Role(s): rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing tauro-β-muricholate (CHEBI:133064) has role human metabolite (CHEBI:77746)
tauro-β-muricholate (CHEBI:133064) has role rat metabolite (CHEBI:86264)
tauro-β-muricholate (CHEBI:133064) is a cholanic acid conjugate anion (CHEBI:131879)
tauro-β-muricholate (CHEBI:133064) is a organosulfonate oxoanion (CHEBI:33554)
tauro-β-muricholate (CHEBI:133064) is conjugate base of tauro-β-muricholic acid (CHEBI:133057)
Incoming tauro-β-muricholic acid (CHEBI:133057) is conjugate acid of tauro-β-muricholate (CHEBI:133064)
IUPAC Name
2-[(3α,6β,7β-trihydroxy-24-oxo-5β-cholan-24-yl)amino]ethane-1-sulfonate
Synonyms Sources
2-{[(3α,5β,6β,7β)-3,6,7-trihydroxy-24-oxocholan-24-yl]amino}ethane-1-sulfonate IUPAC
β-tauromuricholate ChEBI
N-(3α,6β,7β-trihydroxy-5β-cholan-24-oyl)-taurinate ChEBI
tauro-beta-muricholate ChEBI
tauro-β-muricholate UniProt
Manual Xref Database
CPD-18800 MetaCyc
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Citations Waiting for Citations Types Sources
23395169 PubMed citation Europe PMC
6825837 PubMed citation Europe PMC
Last Modified
17 May 2022