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CHEBI:134116 - α-muricholate

ChEBI IDCHEBI:134116
ChEBI Nameα-muricholate
Stars
ASCII Namealpha-muricholate
DefinitionA bile acid anion resulting from the deprotonation of the carboxy group of α-muricholic acid. The major species at pH 7.3.
Last Modified1 February 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC24H39O5
Net Charge-1
Average Mass407.571
Monoisotopic Mass407.28030
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)[O-])[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])[C@H](O)[C@@H](O)[C@@]21[H]
InChIInChI=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
InChIKeyDKPMWHFRUGMUKF-GDYCBZMLSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
(3α,5β,6β,7α)-3,6,7-trihydroxycholan-24-oateIUPAC
UniProt Name  Source
α-muricholateUniProt
Manual XrefsDatabases
C17647KEGG COMPOUND
Citations