CHEBI:89929 - glycoursodeoxycholic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name glycoursodeoxycholic acid ChEBI ID CHEBI:89929 Definition A bile acid glycine conjugate derived from ursoodeoxycholic acid. 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 C26H43NO5 Net Charge 0 Average Mass 449.624 Monoisotopic Mass 449.31412 InChI InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1 InChIKey GHCZAUBVMUEKKP-XROMFQGDSA-N SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC(NCC(O)=O)=O)C)[H])C)[H])C Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). 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 blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. Application(s): neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. View more via ChEBI Ontology ChEBI Ontology Outgoing glycoursodeoxycholic acid (CHEBI:89929) has functional parent ursodeoxycholic acid (CHEBI:9907) glycoursodeoxycholic acid (CHEBI:89929) has role human blood serum metabolite (CHEBI:85234) glycoursodeoxycholic acid (CHEBI:89929) has role neuroprotective agent (CHEBI:63726) glycoursodeoxycholic acid (CHEBI:89929) is a N-acylglycine (CHEBI:16180) glycoursodeoxycholic acid (CHEBI:89929) is a bile acid glycine conjugate (CHEBI:36255) glycoursodeoxycholic acid (CHEBI:89929) is conjugate acid of glycoursodeoxycholate (CHEBI:132030) Incoming glycoursodeoxycholate (CHEBI:132030) is conjugate base of glycoursodeoxycholic acid (CHEBI:89929) IUPAC Name N-(3α,7β-dihydroxy-5β-cholan-24-oyl)glycine Synonyms Sources 3α,7β-dihydroxy-5β-cholanoylglycine HMDB Glycine ursodeoxycholic acid ChemIDplus Glycylursodeoxycholic acid HMDB GUDCA ChEBI N-(3α,7β-dihydroxy-5β-cholan-24-oyl)glycine HMDB N-[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl]glycine HMDB Ursodeoxycholylglycine HMDB Manual Xref Database HMDB0000708 HMDB View more database links Registry Numbers Types Sources 3226178 Reaxys Registry Number Reaxys 64480-66-6 CAS Registry Number ChemIDplus Citations Types Sources 24848512 PubMed citation Europe PMC 26009005 PubMed citation Europe PMC 26382575 PubMed citation Europe PMC 26639449 PubMed citation Europe PMC 27322559 PubMed citation Europe PMC Last Modified 01 July 2016