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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 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          carbon atom 0
            organic molecular entity 0
              lipid 0
                steroid 0
                  steroid glucosiduronic acid 0
                    deoxycholic acid 24-O-(beta-D-glucuronide) 0
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  CHEBI ontology 0
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                atom 0
                  main group element atom 0
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                              organic cyclic compound 0
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                                  steroid 0
                                    steroid fundamental parent 0
                                      cholane 0
                                        cholanoid 0
                                          cholanic acids 0
                                            cholanic acid 0
                                              5beta-cholanic acid 0
                                                hydroxy-5beta-cholanic acid 0
                                                  dihydroxy-5beta-cholanic acid 0
                                                    deoxycholic acid 0
                                                      deoxycholic acid 24-O-(beta-D-glucuronide) 0
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