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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:chenodeoxycholic acid 3-O-(beta-D-glucuronide)
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Accession:CHEBI:137725 term browser browse the term
Definition:A steroid glucosiduronic acid that is chenodeoxycholic acid having a single beta-D-glucuronic acid residue attached at position 3.
Synonyms:exact_synonym: 3alpha-(beta-D-glucopyranuronosyloxy)-7alpha-hydroxy-5beta-cholan-24-oic acid
 related_synonym: (3alpha,5beta,7alpha)-3-(beta-D-glucopyranuronosyloxy)-7-hydroxycholan-24-oic acid;   CDCA 3-;   CDCA-3G;   Formula=C30H48O10;   InChI=1S/C30H48O10/c1-14(4-7-21(32)33)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(12-15(29)13-20(22)31)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h14-20,22-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1;   InChIKey=GDNGOAUIUTXUES-BWGRGVIUSA-N;   SMILES=C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)[H])O)[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)[H])C;   chenodeoxycholic acid 3-beta-D-glucuronide;   chenodeoxycholic acid 3-glucuronide
 xref: PMID:16749861;   PMID:23756265;   PMID:23756370;   PMID:28550384;   Reaxys:6883644
 cyclic_relationship: is_conjugate_acid_of CHEBI:136894


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19883
    chemical entity 19883
      atom 19881
        nonmetal atom 19760
          carbon atom 19668
            organic molecular entity 19668
              lipid 17239
                steroid 12832
                  steroid glucosiduronic acid 25
                    chenodeoxycholic acid 3-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    p-block element atom 19771
                      carbon group element atom 19679
                        carbon atom 19668
                          organic molecular entity 19668
                            organic molecule 19596
                              organic cyclic compound 19407
                                organic polycyclic compound 16431
                                  steroid 12832
                                    steroid fundamental parent 12446
                                      cholane 936
                                        cholanoid 936
                                          cholanic acids 920
                                            cholanic acid 920
                                              5beta-cholanic acid 920
                                                hydroxy-5beta-cholanic acid 920
                                                  dihydroxy-5beta-cholanic acid 768
                                                    chenodeoxycholic acid 450
                                                      chenodeoxycholic acid 3-O-(beta-D-glucuronide) 0
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