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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name chenodeoxycholic acid-3-O-β-D-glucoside
ChEBI ID CHEBI:229688
ChEBI ASCII Name chenodeoxycholic acid-3-O-beta-D-glucoside
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H50O9
Net Charge 0
Average Mass 554.721
Monoisotopic Mass 554.34548
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
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
ChEBI Ontology
Outgoing 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 β-D-glucoside (CHEBI:22798)
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 conjugate acid of chenodeoxycholate-3-O-β-D-glucoside(1−) (CHEBI:142610)
Incoming 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 acid ChEBI
Citations Waiting for Citations Types Sources
1459250 PubMed citation Europe PMC
9111029 PubMed citation Europe PMC
Last Modified
27 February 2024