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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Definition:A steroid glucosiduronic acid that is calcitriol in which the hydroxy hydrogen at position 25 has been replaced by a beta-D-glucuronyl residue.
Synonyms:exact_synonym: (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
 related_synonym: (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3-diol-25-yl beta-D-glucopyranosiduronic acid;   1alpha,25-dihydroxyvitamin D3 25-O-(beta-D-glucuronic acid);   1alpha,25-dihydroxyvitamin D3 25-O-(beta-D-glucuronide);   Formula=C33H52O9;   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;   InChIKey=UBEXJJQDSPZXNL-BHNPUNFPSA-N;   SMILES=C1[C@]2([C@](/C(=C/C=C/3\\C([C@H](C[C@@H](C3)O)O)=C)/CC1)(CC[C@@]2([C@H](C)CCCC(O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)C(=O)O)(C)C)[H])[H])C;   calcitriol 25-O--(beta-D-glucuronic acid);   calcitriol 25-O-glucoronide;   calcitriol 25-beta-glucuronide;   calcitriol 25-glucuronide
 xref: PMID:18177842
 cyclic_relationship: is_conjugate_acid_of CHEBI:139274


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Term Annotations click to browse term
  CHEBI ontology 19911
    role 19854
      biological role 19852
        immunomodulator 15081
          calcitriol 2429
            calcitriol 25-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19880
          baryon 19880
            nucleon 19909
              atomic nucleus 19880
                atom 19909
                  main group element atom 19849
                    p-block element atom 19849
                      carbon group element atom 19766
                        carbon atom 19785
                          organic molecular entity 19785
                            heteroorganic entity 19541
                              organochalcogen compound 19301
                                organooxygen compound 19193
                                  carbohydrates and carbohydrate derivatives 15275
                                    carbohydrate 15302
                                      carbohydrate derivative 14313
                                        glycosyl compound 13078
                                          glycoside 11847
                                            glycosiduronic acid 201
                                              glucosiduronic acid 201
                                                beta-D-glucosiduronic acid 47
                                                  calcitriol 25-O-(beta-D-glucuronide) 0
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