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CHEBI:87819 - sodium glycodeoxycholate

ChEBI IDCHEBI:87819
ChEBI Namesodium glycodeoxycholate
Stars
DefinitionA bile acid salt that is the sodium salt of glycodeoxycholic acid.
Last Modified22 January 2016
Submittermwilliams
DownloadsMolfile
FormulaC26H42NO5.Na
Net Charge0
Average Mass471.614
Monoisotopic Mass471.29607
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)NCC(=O)[O-])[C@@]1(C)CC[C@@H](O)C2.[Na+]
InChIInChI=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
InChIKeyVMSNAUAEKXEYGP-YEUHZSMFSA-M
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (23078175)
- MetaboLights (MTBLS19)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 N-(3α,12α-dihydroxy-5β-cholan-24-oyl)glycinate
sodium [(3α,12α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]acetate
Synonym  Source
glycodeoxycholic acid sodium saltChEBI
Manual XrefsDatabases
Glycodeoxycholic_acidWikipedia
Registry NumbersSources
Reaxys:3847291Reaxys