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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:lithocholic acid 3-O-(beta-D-glucuronide)
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Accession:CHEBI:137921 term browser browse the term
Definition:A steroid glucosiduronic acid that is lithocholic acid having a single beta-D-glucuronic acid residue attached at position 3.
Synonyms:exact_synonym: 24-hydroxy-24-oxo-5beta-cholan-3alpha-yl beta-D-glucopyranosiduronic acid
 related_synonym: (3alpha,5beta)-24-hydroxy-24-oxocholan-3-yl beta-D-glucopyranosiduronic acid;   Formula=C30H48O9;   InChI=1S/C30H48O9/c1-15(4-9-22(31)32)19-7-8-20-18-6-5-16-14-17(10-12-29(16,2)21(18)11-13-30(19,20)3)38-28-25(35)23(33)24(34)26(39-28)27(36)37/h15-21,23-26,28,33-35H,4-14H2,1-3H3,(H,31,32)(H,36,37)/t15-,16-,17-,18+,19-,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1;   InChIKey=GIQXKAXWRLHLDD-VYACWCJYSA-N;   LCA-3G;   Lithocholate 3-O-beta-D-glucuronide;   Lithocholate 3-O-glucuronide;   Lithocholic acid glucuronide;   SMILES=C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[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])[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)[H])C;   lithocholic acid 3-beta-D-glucuronide;   lithocholic acid 3-beta-glucuronide;   lithocholic acid 3-glucuronide
 xref: CAS:75239-91-7;   PMID:12191677;   PMID:16749861;   PMID:1916672;   PMID:20374298;   PMID:2351869;   PMID:23756265;   PMID:7751593;   PMID:8344113;   PMID:9367176;   Reaxys:26575526
 cyclic_relationship: is_conjugate_acid_of CHEBI:136965


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  CHEBI ontology 22178
    role 22194
      application 21744
        pharmaceutical 21187
          drug 21159
            protective agent 18625
              geroprotector 17707
                lithocholic acid 273
                  lithocholic acid 3-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    p-block element atom 22104
                      carbon group element atom 21904
                        carbon atom 21859
                          organic molecular entity 21830
                            organic molecule 21647
                              organic cyclic compound 21252
                                organic polycyclic compound 17940
                                  steroid 14869
                                    steroid fundamental parent 14670
                                      cholane 1008
                                        cholanoid 1011
                                          cholanic acids 992
                                            cholanic acid 995
                                              5beta-cholanic acid 992
                                                hydroxy-5beta-cholanic acid 995
                                                  bile acid 992
                                                    lithocholic acid 273
                                                      lithocholic acid 3-O-(beta-D-glucuronide) 0
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