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CHEBI:58876 - murideoxycholate

ChEBI IDCHEBI:58876
ChEBI Namemurideoxycholate
Stars
DefinitionA bile acid anion that is the conjugate base of murideoxycholic acid.
Last Modified11 November 2014
DownloadsMolfile
FormulaC24H39O4
Net Charge-1
Average Mass391.572
Monoisotopic Mass391.28538
SMILES[H][C@@]12C[C@@H](O)[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)[O-]
InChIInChI=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)/p-1/t14-,15-,16+,17-,18+,19+,20+,21-,23-,24-/m1/s1
InChIKeyDGABKXLVXPYZII-PLYQRAMGSA-M
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (24399466)
Homo sapiens (ncbitaxon:9606) - PubMed (8315264)
Roles Classification
Biological Roles:
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).
ChEBI Ontology
Outgoing Relation(s)
murideoxycholate (CHEBI:58876) has role human metabolite (CHEBI:77746)
murideoxycholate (CHEBI:58876) has role mouse metabolite (CHEBI:75771)
murideoxycholate (CHEBI:58876) is a bile acid anion (CHEBI:36235)
murideoxycholate (CHEBI:58876) is conjugate base of murideoxycholic acid (CHEBI:52030)
Incoming Relation(s)
murideoxycholic acid (CHEBI:52030) is conjugate acid of murideoxycholate (CHEBI:58876)
IUPAC Name 
3α,6β-dihydroxycholan-24-oate
Synonyms  Source
murideoxycholate anionChEBI
(3α,5β,6β)-3,6-dihydroxycholan-24-oateChEBI
UniProt Name  Source
6β-hydroxylithocholateUniProt