CHEBI:134116 - α-muricholate

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ChEBI Name α-muricholate
ChEBI ID CHEBI:134116
ChEBI ASCII Name alpha-muricholate
Definition A bile acid anion resulting from the deprotonation of the carboxy group of α-muricholic acid. The major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
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Formula C24H39O5
Net Charge -1
Average Mass 407.564
Monoisotopic Mass 407.28030
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)/p-1/t13-,14-,15-,16+,17+,18+,20+,21+,22+,23-,24-/m1/s1
InChIKey DKPMWHFRUGMUKF-GDYCBZMLSA-M
SMILES C1[C@H](C[C@@]2([C@](C1)([C@@]3([C@@]([C@@H]([C@H]2O)O)([C@@]4([H])[C@@](CC3)(C)[C@](CC4)([C@@H](CCC([O-])=O)C)[H])[H])[H])C)[H])O
ChEBI Ontology
Outgoing α-muricholate (CHEBI:134116) is a bile acid anion (CHEBI:36235)
α-muricholate (CHEBI:134116) is conjugate base of α-muricholic acid (CHEBI:81243)
Incoming α-muricholate 7-sulfate(2−) (CHEBI:172398) has functional parent α-muricholate (CHEBI:134116)
α-muricholic acid (CHEBI:81243) is conjugate acid of α-muricholate (CHEBI:134116)
IUPAC Name
3α,6β,7α-trihydroxy-5β-cholan-24-oate
Synonyms Sources
(3α,5β,6β,7α)-3,6,7-trihydroxycholan-24-oate IUPAC
α-muricholate UniProt
Manual Xref Database
C17647 KEGG COMPOUND
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Citation Waiting for Citations Type Source
20671298 PubMed citation SUBMITTER
Last Modified
01 February 2017