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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:1alpha,23(S),25-trihydroxyvitamin D3
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Accession:CHEBI:90970 term browser browse the term
Definition:A hydroxycalciol that consists of vitamin D3 (calciol) bearing additional hydroxy substituents at positions 1, 23 and 25 (with 1alpha,23S-configuration). An intermediate in the degradation pathway of 1alpha,25-(OH)2D3.
Synonyms:exact_synonym: (1S,3R,5Z,7E,23S)-9,10-secocholesta-5,7,10-triene-1,3,23,25-tetrol
 related_synonym: 1,23,25-Trihydroxycholecalciferol;   1,23,25-Trihydroxyvitamin D3;   1alpha,23S,25-(OH)3D3;   1alpha,23S,25-trihydroxy vitamin D3;   1alpha,23S,25-trihydroxycholecalciferol;   Formula=C27H44O4;   InChI=1S/C27H44O4/c1-17(13-22(29)16-26(3,4)31)23-10-11-24-19(7-6-12-27(23,24)5)8-9-20-14-21(28)15-25(30)18(20)2/h8-9,17,21-25,28-31H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9-/t17-,21-,22+,23-,24+,25+,27-/m1/s1;   InChIKey=NHRGJVVEKNHIIE-KWJCNBFNSA-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[C@@H](CC(C)(C)O)O)[H])[H])C
 xref: CAS:86701-33-9;   PMID:16617161;   PMID:17646648;   PMID:6323135;   PMID:6548386;   PMID:6688522;   Reaxys:8813277


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  CHEBI ontology 19893
    role 19863
      biological role 19861
        molecular messenger 18682
          hormone 18513
            steroid hormone 7896
              calciol 2648
                1alpha,23(S),25-trihydroxyvitamin D3 0
Path 2
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  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    p-block element atom 19830
                      carbon group element atom 19771
                        carbon atom 19767
                          organic molecular entity 19767
                            organic molecule 19719
                              organic cyclic compound 19509
                                organic polycyclic compound 17312
                                  steroid 14727
                                    hydroxy steroid 14476
                                      hydroxy seco-steroid 2706
                                        vitamin D 2701
                                          D3 vitamins 2648
                                            calciol 2648
                                              hydroxycalciol 2500
                                                1alpha,23(S),25-trihydroxyvitamin D3 0
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