CHEBI:81243 - α-muricholic acid

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ChEBI Name α-muricholic acid
ChEBI ID CHEBI:81243
ChEBI ASCII Name alpha-muricholic acid
Definition A member of the class of muricholic acids in which the hydroxy groups at positions 6 and 7 have β- and α- configuration respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H40O5
Net Charge 0
Average Mass 408.572
Monoisotopic Mass 408.28757
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)/t13-,14-,15-,16+,17+,18+,20+,21+,22+,23-,24-/m1/s1
InChIKey DKPMWHFRUGMUKF-GDYCBZMLSA-N
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
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing α-muricholic acid (CHEBI:81243) is a 6β-hydroxy steroid (CHEBI:36851)
α-muricholic acid (CHEBI:81243) is a 7α-hydroxy steroid (CHEBI:36843)
α-muricholic acid (CHEBI:81243) is a muricholic acids (CHEBI:134216)
α-muricholic acid (CHEBI:81243) is conjugate acid of α-muricholate (CHEBI:134116)
Incoming α-muricholate (CHEBI:134116) is conjugate base of α-muricholic acid (CHEBI:81243)
IUPAC Name
3α,6β,7α-trihydroxy-5β-cholan-24-oic acid
Synonyms Sources
(3α,5β,6β,7α)-3,6,7-trihydroxycholan-24-oic acid IUPAC
5beta-Cholanic acid-3alpha,6beta,7alpha-triol KEGG COMPOUND
Manual Xrefs Databases
C17647 KEGG COMPOUND
LMST04010066 LIPID MAPS
View more database links
Registry Number Type Source
2393-58-0 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
11246608 PubMed citation Europe PMC
20671298 PubMed citation Europe PMC
3304341 PubMed citation Europe PMC
3667558 PubMed citation Europe PMC
Last Modified
09 January 2017