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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:sodium glycochenodeoxycholate
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Accession:CHEBI:87818 term browser browse the term
Definition:A bile acid salt that is the sodium salt of glycochenodeoxycholic acid.
Synonyms:exact_synonym: sodium N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycinate;   sodium [(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetate
 related_synonym: Formula=C26H42NNaO5;   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;   NSC 681056;   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+];   Sodium glycylchenodeoxycholate;   glycochenodeoxycholic acid sodium salt
 xref: CAS:16564-43-5;   DrugBank:DB02123;   PMID:23078175;   PMID:23206209;   PMID:3742659;   Reaxys:3847290;   Wikipedia:Glycochenodeoxycholic_acid

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Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        ion 0
          anion 0
            organic anion 0
              cholanic acid conjugate anion 0
                glycochenodeoxycholate 0
                  sodium glycochenodeoxycholate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic ion 0
                              organic anion 0
                                carboxylic acid anion 0
                                  amino-acid anion 0
                                    alpha-amino-acid anion 0
                                      glycinate 0
                                        N-acylglycinate 0
                                          glycochenodeoxycholate 0
                                            sodium glycochenodeoxycholate 0
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