CHEBI:87818 - sodium glycochenodeoxycholate

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ChEBI Name sodium glycochenodeoxycholate
Definition A bile acid salt that is the sodium salt of glycochenodeoxycholic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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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
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).
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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)
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 Waiting for Citations Types Sources
23078175 PubMed citation Europe PMC
23206209 PubMed citation Europe PMC
3742659 PubMed citation Europe PMC
Last Modified
06 April 2016