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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 glycodeoxycholate
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Accession:CHEBI:87819 term browser browse the term
Definition:A bile acid salt that is the sodium salt of glycodeoxycholic acid.
Synonyms:exact_synonym: sodium N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycinate;   sodium [(3alpha,12alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetate
 related_synonym: Formula=C26H42NNaO5;   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;   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;   glycodeoxycholic acid sodium salt
 xref: Reaxys:3847291;   Wikipedia:Glycodeoxycholic_acid


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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        ion 0
          anion 0
            salt 0
              organic salt 0
                bile acid salt 0
                  sodium glycodeoxycholate 0
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  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 molecule 0
                              organic cyclic compound 0
                                organic polycyclic compound 0
                                  steroid 0
                                    steroid fundamental parent 0
                                      cholane 0
                                        cholanoid 0
                                          bile acid salt 0
                                            sodium glycodeoxycholate 0
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