CHEBI:87818 - sodium glycochenodeoxycholate

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ChEBI Name sodium glycochenodeoxycholate ChEBI ID CHEBI:87818 Definition A bile acid salt that is the sodium salt of glycochenodeoxycholic 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(4-7-22(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);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-;/m1./s1 InChIKey AAYACJGHNRIFCT-YRJJIGPTSA-M 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([C@@H](CCC(NCC([O-])=O)=O)C)[H])[H])C)[H])C.[Na+] Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Homo sapiens (NCBI:txid9606) See: MetaboLights Study Homo sapiens (NCBI:txid9606) See: PubMed Homo sapiens (NCBI:txid9606) See: MetaboLights Study Homo sapiens (NCBI:txid9606) See: MetaboLights Study 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 glycochenodeoxycholate (CHEBI:87818) has part glycochenodeoxycholate (CHEBI:36252) sodium glycochenodeoxycholate (CHEBI:87818) has role human metabolite (CHEBI:77746) sodium glycochenodeoxycholate (CHEBI:87818) is a bile acid salt (CHEBI:36277) sodium glycochenodeoxycholate (CHEBI:87818) is a organic sodium salt (CHEBI:38700) IUPAC Names sodium [(3α,7α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]acetate sodium N-(3α,7α-dihydroxy-5β-cholan-24-oyl)glycinate Synonyms Sources glycochenodeoxycholic acid sodium salt ChEBI NSC 681056 ChemIDplus Sodium glycylchenodeoxycholate ChemIDplus Manual Xrefs Databases DB02123 DrugBank Glycochenodeoxycholic_acid Wikipedia View more database links Registry Numbers Types Sources 16564-43-5 CAS Registry Number ChemIDplus 3847290 Reaxys Registry Number Reaxys Citations Types Sources 23078175 PubMed citation Europe PMC 23206209 PubMed citation Europe PMC 3742659 PubMed citation Europe PMC Last Modified 06 April 2016