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CHEBI:229688 - chenodeoxycholic acid-3-O-β-D-glucoside

ChEBI IDCHEBI:229688
ChEBI Namechenodeoxycholic acid-3-O-β-D-glucoside
Stars
ASCII Namechenodeoxycholic acid-3-O-beta-D-glucoside
DefinitionA β-D-glucoside resulting from the formal condensation of the 1R-hydroxy group of β-D-glucose with the 3R-hydroxy group of chenodeoxycholic acid.
Last Modified27 February 2024
SubmitterAdnan
DownloadsMolfile
FormulaC30H50O9
Net Charge0
Average Mass554.721
Monoisotopic Mass554.34548
SMILES[H][C@@]12C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=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
InChIKeyQRLIJDGVRXVHQD-UVMPBBQUSA-N
ChEBI Ontology
Outgoing Relation(s)
chenodeoxycholic acid-3-O-β-D-glucoside (CHEBI:229688) has functional parent chenodeoxycholic acid (CHEBI:16755)
chenodeoxycholic acid-3-O-β-D-glucoside (CHEBI:229688) is a 7α-hydroxy steroid (CHEBI:36843)
chenodeoxycholic acid-3-O-β-D-glucoside (CHEBI:229688) is a monosaccharide derivative (CHEBI:63367)
chenodeoxycholic acid-3-O-β-D-glucoside (CHEBI:229688) is a β-D-glucoside (CHEBI:22798)
chenodeoxycholic acid-3-O-β-D-glucoside (CHEBI:229688) is conjugate acid of chenodeoxycholate-3-O-β-D-glucoside(1−) (CHEBI:142610)
Incoming Relation(s)
chenodeoxycholate-3-O-β-D-glucoside(1−) (CHEBI:142610) is conjugate base of chenodeoxycholic acid-3-O-β-D-glucoside (CHEBI:229688)
IUPAC Name 
3α-(β-D-glucopyranosyloxy)-7α-hydroxy-5β-cholan-24-oic acid
Synonym  Source
3β-D-glucosido-chenodeoxycholic acidChEBI
Citations