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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 19848
    role 19824
      application 19668
        pharmaceutical 19508
          drug 19508
            protective agent 18221
              geroprotector 17380
                lithocholic acid 267
                  lithocholic acid 3-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            organic molecule 19690
                              organic cyclic compound 19501
                                organic polycyclic compound 17247
                                  steroid 14689
                                    steroid fundamental parent 14486
                                      cholane 1001
                                        cholanoid 1001
                                          cholanic acids 985
                                            cholanic acid 985
                                              5beta-cholanic acid 985
                                                hydroxy-5beta-cholanic acid 985
                                                  bile acid 985
                                                    lithocholic acid 267
                                                      lithocholic acid 3-O-(beta-D-glucuronide) 0
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