OntologiesslmclassesCHEBI:133661   
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hyocholateImported
http://purl.obolibrary.org/obo/CHEBI_133661

A bile acid anion that is the conjugate base of hyocholic acid, obtained bye deprotonation of the carboxy group; major species at pH 7.3.

Defined bychebi
Also appears ingo
Exact Synonyms
3alpha,6alpha,7alpha-trihydroxy-5beta-cholan-24-oate
hyocholate
Related Synonyms
(3alpha,5beta,6alpha,7alpha)-3,6,7-trihydroxycholan-24-oate
alpha-hyocholate
gamma-muricholate
hyocholic acid
class Information
charge

-1

formula

C24H39O5

has_obo_namespace

chebi_ontology

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-KWXDGCAGSA-M

in_subset

3_STAR

mass

407.564

monoisotopicmass

407.28030

smiles

C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H]([C@@H]([C@@]2(C[C@@H](C1)O)[H])O)O)[H])(CC[C@]4([H])[C@@H](CCC([O-])=O)C)[H])C)[H])C

class Relations