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sodium glycodeoxycholate

Go to external page http://purl.obolibrary.org/obo/CHEBI_87819

A bile acid salt that is the sodium salt of glycodeoxycholic acid.

Term info

Label

sodium glycodeoxycholate

Synonyms
  • sodium N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycinate
  • sodium [(3alpha,12alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetate
database cross reference
Subsets

3_STAR

IUPAC NAME
sodium [(3alpha,12alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetate [ IUPAC ]

IUPAC NAME
sodium N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycinate [ IUPAC ]

charge

0

formula

C26H42NNaO5

has obo namespace

chebi_ontology

has related synonym

glycodeoxycholic acid sodium salt

id

CHEBI:87819

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

mass

471.606

monoisotopicmass

471.29607

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