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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:deoxycholic acid 24-O-(beta-D-glucuronide)
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Accession:CHEBI:137799 term browser browse the term
Definition:A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of deoxycholic acid with the anomeric hydroxy group of beta-D-glucuronic acid.
Synonyms:exact_synonym: 1-O-(3alpha,12alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronic acid
 related_synonym: 1-O-[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]-beta-D-glucopyranuronic acid;   DCA-24G;   Formula=C30H48O10;   InChI=1S/C30H48O10/c1-14(4-9-22(33)39-28-25(36)23(34)24(35)26(40-28)27(37)38)18-7-8-19-17-6-5-15-12-16(31)10-11-29(15,2)20(17)13-21(32)30(18,19)3/h14-21,23-26,28,31-32,34-36H,4-13H2,1-3H3,(H,37,38)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1;   InChIKey=MZVCLCMWDVOQAH-GYSLYLNXSA-N;   SMILES=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([C@@H](CCC(O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)=O)C)[H])[H])C)O)[H])C;   deoxycholic acid 24-beta-D-glucuronide;   deoxycholic acid 24-beta-glucuronide;   deoxycholic acid 24-glucuronide
 xref: PMID:23756265;   PMID:23756370;   Reaxys:8024212
 cyclic_relationship: is_conjugate_acid_of CHEBI:136901


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  CHEBI ontology 19875
    chemical entity 19875
      atom 19873
        nonmetal atom 19751
          carbon atom 19657
            organic molecular entity 19657
              lipid 17235
                steroid 12826
                  steroid glucosiduronic acid 25
                    deoxycholic acid 24-O-(beta-D-glucuronide) 0
Path 2
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  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic molecule 19586
                              organic cyclic compound 19395
                                organic polycyclic compound 16425
                                  steroid 12826
                                    steroid fundamental parent 12440
                                      cholane 938
                                        cholanoid 938
                                          cholanic acids 922
                                            cholanic acid 922
                                              5beta-cholanic acid 922
                                                hydroxy-5beta-cholanic acid 922
                                                  dihydroxy-5beta-cholanic acid 769
                                                    deoxycholic acid 230
                                                      deoxycholic acid 24-O-(beta-D-glucuronide) 0
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