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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:cholic acid 24-O-(beta-D-glucuronide)
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Accession:CHEBI:137791 term browser browse the term
Definition:A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of cholic acid with the anomeric hydroxy group of beta-D-glucuronic acid.
Synonyms:exact_synonym: 1-O-(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronic acid
 related_synonym: 1-O-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]-beta-D-glucopyranuronic acid;   CA-24G;   Formula=C30H48O11;   InChI=1S/C30H48O11/c1-13(4-7-21(34)40-28-25(37)23(35)24(36)26(41-28)27(38)39)16-5-6-17-22-18(12-20(33)30(16,17)3)29(2)9-8-15(31)10-14(29)11-19(22)32/h13-20,22-26,28,31-33,35-37H,4-12H2,1-3H3,(H,38,39)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1;   InChIKey=AIUGVBWFKAVAIZ-SXYQVCRBSA-N;   SMILES=C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])O)[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;   cholic acid 24-beta-D-glucuronide;   cholic acid 24-beta-glucuronide;   cholic acid 24-glucuronide
 xref: PMID:23756265;   PMID:23756370;   Reaxys:8025077
 cyclic_relationship: is_conjugate_acid_of CHEBI:136900


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  CHEBI ontology 19808
    chemical entity 19806
      atom 19806
        nonmetal atom 19744
          carbon atom 19702
            organic molecular entity 19702
              lipid 17957
                steroid 14678
                  steroid glucosiduronic acid 25
                    cholic acid 24-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            organic molecule 19655
                              organic cyclic compound 19468
                                organic polycyclic compound 17225
                                  steroid 14678
                                    steroid fundamental parent 14474
                                      cholane 1000
                                        cholanoid 1000
                                          cholanic acids 984
                                            cholanic acid 984
                                              5beta-cholanic acid 984
                                                hydroxy-5beta-cholanic acid 984
                                                  trihydroxy-5beta-cholanic acid 333
                                                    cholic acid 332
                                                      cholic acid 24-O-(beta-D-glucuronide) 0
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