chenodeoxycholate-3-O-beta-D-glucoside(1-)
A bile acid anion that results from the deprotonation of the carboxy group of chenodeoxycholic acid-3-O-beta-D-glucoside; Major species at pH 7.3.
Also appears inslm
Exact Synonyms
(3alpha,5beta,7alpha)-3-(beta-D-glucopyranosyloxy)-7-hydroxycholan-24-oate
Related Synonyms
3alpha,7alpha-dihydroxy-5beta-cholan-24-oate 3-O-(beta-D-glucoside)(1-)
3beta-D-glucosido-chenodeoxycholate(1-)
beta-D-glucosyl-(1->3)-O-chenodeoxycholate
CDCA 3-glucoside(1-)
class Information
charge
-1
formula
C30H49O9
has_dbxref
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C30H50O9/c1-15(4-7-23(33)34)18-5-6-19-24-20(9-11-30(18,19)3)29(2)10-8-17(12-16(29)13-21(24)32)38-28-27(37)26(36)25(35)22(14-31)39-28/h15-22,24-28,31-32,35-37H,4-14H2,1-3H3,(H,33,34)/p-1/t15-,16+,17-,18-,19+,20+,21-,22-,24+,25-,26+,27-,28-,29+,30-/m1/s1
inchikey
QRLIJDGVRXVHQD-UVMPBBQUSA-M
in_subset
mass
553.706
monoisotopicmass
553.33821
smiles
C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[H])O)[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)[H])C
class Relations
Subclass of
Related from
is conjugate acid of