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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 26495
    role 26317
      biological role 26296
        pharmacological role 22087
          agonist 20361
            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
Path 2
Term Annotations click to browse term
  CHEBI ontology 26495
    subatomic particle 26471
      composite particle 26471
        hadron 26471
          baryon 26471
            nucleon 26471
              atomic nucleus 26471
                atom 26471
                  main group element atom 26207
                    p-block element atom 26207
                      carbon group element atom 25650
                        carbon atom 25612
                          organic molecular entity 25612
                            organic molecule 25356
                              organic cyclic compound 24410
                                organic polycyclic compound 18991
                                  steroid 15895
                                    hydroxy steroid 15574
                                      hydroxy seco-steroid 2804
                                        vitamin D 2799
                                          D3 vitamins 2745
                                            calciol 2745
                                              hydroxycalciol 2594
                                                (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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