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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:calcitriol 25-O-(beta-D-glucuronide)
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Accession:CHEBI:139600 term browser browse the term
Definition:A steroid glucosiduronic acid that is calcitriol in which the hydroxy hydrogen at position 25 has been replaced by a β-D-glucuronyl residue.
Synonyms:related_synonym: (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3-diol-25-yl beta-D-glucopyranosiduronic acid;   (6R)-6-[(1R,3aS,4E,7aR)-4-{(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]-2-methylheptan-2-yl beta-D-glucopyranosiduronic acid;   1alpha,25-dihydroxyvitamin D3 25-O-(beta-D-glucuronic acid);   1alpha,25-dihydroxyvitamin D3 25-O-(beta-D-glucuronide);   calcitriol 25-O--(beta-D-glucuronic acid);   calcitriol 25-O-glucoronide;   calcitriol 25-beta-glucuronide;   calcitriol 25-glucuronide
 xref: pubmed:18177842
 chemrof_formula: C33H52O9
 chemrof_inchi: InChI=1S/C33H52O9/c1-18(8-6-14-32(3,4)42-31-28(38)26(36)27(37)29(41-31)30(39)40)23-12-13-24-20(9-7-15-33(23,24)5)10-11-21-16-22(34)17-25(35)19(21)2/h10-11,18,22-29,31,34-38H,2,6-9,12-17H2,1,3-5H3,(H,39,40)/b20-10+,21-11-/t18-,22-,23-,24+,25+,26+,27+,28-,29+,31+,33-/m1/s1
 chemrof_inchikey: UBEXJJQDSPZXNL-BHNPUNFPSA-N
 chemrof_smiles: [H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)CCC/C2=CC=C1C[C@@H](O)C[C@H](O)C1=C
 cyclic_relationship: has_functional_parent CHEBI:17823;   is_conjugate_acid_of CHEBI:139274



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Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      biological role 20831
        biochemical role 19888
          metabolite 19624
            xenobiotic metabolite 11380
              human xenobiotic metabolite 10551
                calcitriol 25-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            heteroorganic entity 20201
                              organochalcogen compound 19822
                                organooxygen compound 19713
                                  carbohydrates and carbohydrate derivatives 15263
                                    carbohydrate derivative 14522
                                      glycosyl compound 13128
                                        glycoside 12247
                                          glycosiduronic acid 220
                                            glucosiduronic acid 220
                                              beta-D-glucosiduronic acid 47
                                                calcitriol 25-O-(beta-D-glucuronide) 0
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