CHEBI:89929 - glycoursodeoxycholic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name glycoursodeoxycholic acid
Definition A bile acid glycine conjugate derived from ursoodeoxycholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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
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)
Synonyms Sources
3α,7β-dihydroxy-5β-cholanoylglycine HMDB
Glycine ursodeoxycholic acid ChemIDplus
Glycylursodeoxycholic acid HMDB
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 Waiting for 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