EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:137790 - chenodeoxycholic acid 24-O-(β-D-glucuronide)

ChEBI IDCHEBI:137790
ChEBI Namechenodeoxycholic acid 24-O-(β-D-glucuronide)
Stars
ASCII Namechenodeoxycholic acid 24-O-(beta-D-glucuronide)
DefinitionA steroid glucosiduronic acid obtained by formal condensation of the carboxy group of chenodeoxycholic acid with the anomeric hydroxy group of β-D-glucuronic acid.
Last Modified11 July 2017
SubmitterSteve
DownloadsMolfile
FormulaC30H48O10
Net Charge0
Average Mass568.704
Monoisotopic Mass568.32475
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C30H48O10/c1-14(4-7-21(33)39-28-25(36)23(34)24(35)26(40-28)27(37)38)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(31)12-15(29)13-20(22)32/h14-20,22-26,28,31-32,34-36H,4-13H2,1-3H3,(H,37,38)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1
InChIKeyZTJBLIAPAIPNJE-BWGRGVIUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (17058234)
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) has functional parent chenodeoxycholic acid (CHEBI:16755)
chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) has role human urinary metabolite (CHEBI:84087)
chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) is a O-acyl carbohydrate (CHEBI:52782)
chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) is a steroid glucosiduronic acid (CHEBI:26763)
chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) is a β-D-glucosiduronic acid (CHEBI:15341)
chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) is conjugate acid of chenodeoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136899)
Incoming Relation(s)
chenodeoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136899) is conjugate base of chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790)
IUPAC Name 
1-O-(3α,7α-dihydroxy-24-oxo-5β-cholan-24-yl)-β-D-glucopyranuronic acid
Synonyms  Source
chenodeoxycholic acid 24-β-D-glucuronideChEBI
chenodeoxycholic acid 24-(β-D-glucuronide)ChEBI
chenodeoxycholic acid 24-D-glucuronideChEBI
chenodeoxycholic acid 24-glucuronideChEBI
CDCA-24GChEBI
chenodeoxycholic acid 24-O-(β-D-glucuronic acid)ChEBI
Registry NumbersSources
Reaxys:8046690Reaxys
Citations