chenodeoxycholic acid-3-O-beta-D-glucoside
A beta-D-glucoside resulting from the formal condensation of the 1R-hydroxy group of beta-D-glucose with the 3R-hydroxy group of chenodeoxycholic acid.
Also appears inslm
Exact Synonyms
3alpha-(beta-D-glucopyranosyloxy)-7alpha-hydroxy-5beta-cholan-24-oic acid
Related Synonyms
3beta-D-glucosido-chenodeoxycholic acid
class Information
charge
0
formula
C30H50O9
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)/t15-,16+,17-,18-,19+,20+,21-,22-,24+,25-,26+,27-,28-,29+,30-/m1/s1
inchikey
QRLIJDGVRXVHQD-UVMPBBQUSA-N
in_subset
mass
554.721
monoisotopicmass
554.34548
smiles
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](C)CCC(O)=O