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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:(1S,3R)-dihydroxy-(20S)-[(5'S)-(2"-hydroxy-2"-propyl)-(2'R)-tetrahydrofuryl]-22,23,24,25,26,27-hexanor-1alpha-hydroxyvitamin D3
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Accession:CHEBI:139028 term browser browse the term
Definition:A hydroxycalciol that is a synthetic analogue of vitamin D3 which contains an oxolane ring and exhibits weak vitamin D receptor agonist activity
Synonyms:exact_synonym: (1R,3R,5Z,7E,9xi,20S)-20-[(2R,5S)-5-(2-hydroxypropan-2-yl)oxolan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol
 related_synonym: Formula=C28H44O4;   InChI=1S/C28H44O4/c1-17-20(15-21(29)16-24(17)30)9-8-19-7-6-14-28(5)22(10-11-23(19)28)18(2)25-12-13-26(32-25)27(3,4)31/h8-9,18,21-26,29-31H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23?,24+,25+,26-,28+/m0/s1;   InChIKey=DDIWZQGTNVZJGO-AOWJSLKNSA-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)[C@]4(CC[C@](O4)(C(C)(C)O)[H])[H])[H])[H])C
 xref: PMID:28399453


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Term Annotations click to browse term
  CHEBI ontology 5151
    role 5118
      biological role 5118
        pharmacological role 643
          agonist 514
            vitamin D receptor agonist 0
              (1S,3R)-dihydroxy-(20S)-[(5'S)-(2"-hydroxy-2"-propyl)-(2'R)-tetrahydrofuryl]-22,23,24,25,26,27-hexanor-1alpha-hydroxyvitamin D3 0
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Term Annotations click to browse term
  CHEBI ontology 5151
    subatomic particle 5142
      composite particle 5142
        hadron 5142
          baryon 5142
            nucleon 5142
              atomic nucleus 5142
                atom 5142
                  main group element atom 5115
                    p-block element atom 5112
                      carbon group element atom 5030
                        carbon atom 5029
                          organic molecular entity 5029
                            organic molecule 4978
                              organic cyclic compound 4919
                                organic polycyclic compound 194
                                  steroid 110
                                    hydroxy steroid 78
                                      hydroxy seco-steroid 1
                                        vitamin D 1
                                          D3 vitamins 1
                                            calciol 1
                                              hydroxycalciol 1
                                                (1S,3R)-dihydroxy-(20S)-[(5'S)-(2"-hydroxy-2"-propyl)-(2'R)-tetrahydrofuryl]-22,23,24,25,26,27-hexanor-1alpha-hydroxyvitamin D3 0
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