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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 deoxycholate
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Accession:CHEBI:9177 term browser browse the term
Definition:A bile acid salt that has formula C24H39NaO4.
Synonyms:exact_synonym: sodium 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate
 related_synonym: Formula=C24H39NaO4;   Formula=C24H39O4.Na;   InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1;   InChIKey=FHHPUSMSKHSNKW-SMOYURAASA-M;   SMILES=[Na+].[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC([O-])=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2;   deoxycholic acid sodium salt;   desoxycholate sodium;   sodium 7-deoxycholate
 xref: Beilstein:3643164;   CAS:302-95-4;   Gmelin:1775786;   KEGG:C11171


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    chemical entity 26024
      molecular entity 25991
        ion 18767
          anion 17941
            salt 17501
              organic salt 3416
                bile acid salt 41
                  sodium deoxycholate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            organic molecule 25222
                              organic cyclic compound 24274
                                organic polycyclic compound 18800
                                  steroid 15855
                                    steroid fundamental parent 15629
                                      cholane 1043
                                        cholanoid 1044
                                          bile acid salt 41
                                            sodium deoxycholate 0
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