CHEBI:87819 - sodium glycodeoxycholate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name sodium glycodeoxycholate ChEBI ID CHEBI:87819 Definition A bile acid salt that is the sodium salt of glycodeoxycholic 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 Wikipedia License Read full article at Wikipedia Formula C26H42NNaO5 Net Charge 0 Average Mass 471.606 Monoisotopic Mass 471.29607 InChI InChI=1S/C26H43NO5.Na/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3;/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-;/m1./s1 InChIKey VMSNAUAEKXEYGP-YEUHZSMFSA-M SMILES [Na+].C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O)[H])[H])(CC[C@]4([H])[C@@H](CCC(NCC([O-])=O)=O)C)[H])C)O)[H])C Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Homo sapiens (NCBI:txid9606) See: MetaboLights Study Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing sodium glycodeoxycholate (CHEBI:87819) has part glycodeoxycholate (CHEBI:82982) sodium glycodeoxycholate (CHEBI:87819) has role human metabolite (CHEBI:77746) sodium glycodeoxycholate (CHEBI:87819) is a bile acid salt (CHEBI:36277) sodium glycodeoxycholate (CHEBI:87819) is a organic sodium salt (CHEBI:38700) IUPAC Names sodium [(3α,12α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]acetate sodium N-(3α,12α-dihydroxy-5β-cholan-24-oyl)glycinate Synonym Source glycodeoxycholic acid sodium salt ChEBI Manual Xref Database Glycodeoxycholic_acid Wikipedia View more database links Registry Number Type Source 3847291 Reaxys Registry Number Reaxys Last Modified 22 January 2016