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sodium glycochenodeoxycholate

Go to external page http://purl.obolibrary.org/obo/CHEBI_87818

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

Term info

Label

sodium glycochenodeoxycholate

Synonyms
  • sodium N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycinate
  • sodium [(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetate
database cross reference
Subsets

3_STAR

IUPAC NAME
sodium [(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetate [ IUPAC ]

IUPAC NAME
sodium N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycinate [ IUPAC ]

charge

0

formula

C26H42NNaO5

has obo namespace

chebi_ontology

has related synonym

glycochenodeoxycholic acid sodium salt, Sodium glycylchenodeoxycholate, NSC 681056

id

CHEBI:87818

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

mass

471.606

monoisotopicmass

471.29607

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+]