CHEBI:52030 - murideoxycholic acid

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ChEBI Name murideoxycholic acid
ChEBI ID CHEBI:52030
Definition A 3α-hydroxy steroid that is cholan-24-oic acid substituted by hydroxy groups at positions 3 and 6.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C24H40O4
Net Charge 0
Average Mass 392.57200
Monoisotopic Mass 392.29266
InChI InChI=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)/t14-,15-,16+,17-,18+,19+,20+,21-,23-,24-/m1/s1
InChIKey DGABKXLVXPYZII-PLYQRAMGSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing murideoxycholic acid (CHEBI:52030) has functional parent cholic acid (CHEBI:16359)
murideoxycholic acid (CHEBI:52030) has role human metabolite (CHEBI:77746)
murideoxycholic acid (CHEBI:52030) has role mouse metabolite (CHEBI:75771)
murideoxycholic acid (CHEBI:52030) is a 3α-hydroxy steroid (CHEBI:36835)
murideoxycholic acid (CHEBI:52030) is a 6β-hydroxy steroid (CHEBI:36851)
murideoxycholic acid (CHEBI:52030) is conjugate acid of murideoxycholate (CHEBI:58876)
Incoming murideoxycholate (CHEBI:58876) is conjugate base of murideoxycholic acid (CHEBI:52030)
IUPAC Name
3α,6β-dihydroxycholan-24-oic acid
Synonyms Sources
3alpha,6beta-Dihydroxy-5beta-cholanic acid SUBMITTER
3alpha,6beta-Dihydroxy-5beta-cholanic acid KEGG COMPOUND
6beta-Hydroxylithocholate SUBMITTER
6beta-Hydroxylithocholate KEGG COMPOUND
6β-hydroxylithocholic acid SUBMITTER
Murideoxycholate KEGG COMPOUND
Murocholic acid HMDB
Manual Xrefs Databases
C15515 KEGG COMPOUND
HMDB0000811 HMDB
LMST04010025 LIPID MAPS
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Citations Waiting for Citations Types Sources
24399466 PubMed citation Europe PMC
8315264 PubMed citation Europe PMC
Last Modified
11 November 2014
Submitter Remark
2009-03-03 13:25:05.0 Kristian Axelsen Used in Rhea:18857 EC 1.14.13.94