CHEBI:137725 - chenodeoxycholic acid 3-O-(β-D-glucuronide)

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ChEBI Name chenodeoxycholic acid 3-O-(β-D-glucuronide) ChEBI ID CHEBI:137725 ChEBI ASCII Name chenodeoxycholic acid 3-O-(beta-D-glucuronide) Definition A steroid glucosiduronic acid that is chenodeoxycholic acid having a single β-D-glucuronic acid residue attached at position 3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H48O10 Net Charge 0 Average Mass 568.697 Monoisotopic Mass 568.32475 InChI InChI=1S/C30H48O10/c1-14(4-7-21(32)33)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(12-15(29)13-20(22)31)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h14-20,22-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1 InChIKey GDNGOAUIUTXUES-BWGRGVIUSA-N SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)[H])O)[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)[H])C Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing chenodeoxycholic acid 3-O-(β-D-glucuronide) (CHEBI:137725) has functional parent chenodeoxycholic acid (CHEBI:16755) chenodeoxycholic acid 3-O-(β-D-glucuronide) (CHEBI:137725) has role human urinary metabolite (CHEBI:84087) chenodeoxycholic acid 3-O-(β-D-glucuronide) (CHEBI:137725) is a β-D-glucosiduronic acid (CHEBI:15341) chenodeoxycholic acid 3-O-(β-D-glucuronide) (CHEBI:137725) is a dicarboxylic acid (CHEBI:35692) chenodeoxycholic acid 3-O-(β-D-glucuronide) (CHEBI:137725) is a steroid glucosiduronic acid (CHEBI:26763) chenodeoxycholic acid 3-O-(β-D-glucuronide) (CHEBI:137725) is conjugate acid of chenodeoxycholate 3-O-(β-D-glucuronide)(2−) (CHEBI:136894) Incoming chenodeoxycholate 3-O-(β-D-glucuronide)(2−) (CHEBI:136894) is conjugate base of chenodeoxycholic acid 3-O-(β-D-glucuronide) (CHEBI:137725) IUPAC Name 3α-(β-D-glucopyranuronosyloxy)-7α-hydroxy-5β-cholan-24-oic acid Synonyms Sources (3α,5β,7α)-3-(β-D-glucopyranuronosyloxy)-7-hydroxycholan-24-oic acid IUPAC CDCA 3- ChEBI CDCA-3G ChEBI chenodeoxycholic acid 3-β-D-glucuronide ChEBI chenodeoxycholic acid 3-glucuronide ChEBI Registry Number Type Source 6883644 Reaxys Registry Number Reaxys Citations Types Sources 16749861 PubMed citation Europe PMC 23756265 PubMed citation Europe PMC 23756370 PubMed citation Europe PMC 28550384 PubMed citation Europe PMC Last Modified 11 July 2017