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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
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Accession:CHEBI:17823 term browser browse the term
Definition:A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol.
Synonyms:related_synonym: (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol;   (1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol;   (5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol;   1,25-DHCC;   1-alpha-25-Dihydroxyvitamin D3;   1alpha,25(OH)2D3;   1alpha,25-dihydroxycholecalciferol;   1alpha,25-dihydroxyvitamin D3;   5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL;   Calcijex;   Decostriol;   Formula=C27H44O3;   InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1;   InChIKey=GMRQFYUYWCNGIN-NKMMMXOESA-N;   Rocaltrol;   SMILES=[H][C@@]1(CC[C@@]2([H])\\C(CCC[C@]12C)=C\\C=C1\\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O;   calcitriolum
 alt_id: CHEBI:13932;   CHEBI:19209;   CHEBI:3307;   CHEBI:46435
 xref: CAS:32222-06-3;   DrugBank:DB00136;   Drug_Central:466;   KEGG:C01673;   KEGG:D00129;   LIPID_MAPS_instance:LMST03020258
 xref_mesh: MESH:D002117
 xref: MetaCyc:CALCITRIOL;   PDBeChem:VDX;   PMID:10217585;   PMID:15928596;   PMID:19429426;   PMID:20599255;   PMID:22905919;   PMID:23103122;   PMID:23144765;   PMID:6687801;   Reaxys:2227647;   Wikipedia:Calcitriol


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19890
        role 19839
          biological role 19858
            immunomodulator 15064
              calcitriol 2439
                18-acetoxy-1alpha,25-dihydroxyvitamin D3 0
                1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 + 0
                1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin D3 0
                AMCR277A 0
                AMCR277B 0
                calcitriol 25-O-(beta-D-glucuronate) 0
                calcitriol 25-O-(beta-D-glucuronide) 0
                calcitriol 26,23-lactone 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19890
        subatomic particle 19867
          composite particle 19888
            hadron 19888
              baryon 19888
                nucleon 19867
                  atomic nucleus 19888
                    atom 19888
                      main group element atom 19806
                        p-block element atom 19806
                          carbon group element atom 19746
                            carbon atom 19743
                              organic molecular entity 19743
                                organic molecule 19714
                                  organic cyclic compound 19485
                                    organic polycyclic compound 17282
                                      steroid 14714
                                        hydroxy steroid 14463
                                          hydroxy seco-steroid 2706
                                            vitamin D 2701
                                              D3 vitamins 2648
                                                calciol 2648
                                                  hydroxycalciol 2499
                                                    calcitriol 2439
                                                      18-acetoxy-1alpha,25-dihydroxyvitamin D3 0
                                                      1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 + 0
                                                      1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin D3 0
                                                      AMCR277A 0
                                                      AMCR277B 0
                                                      calcitriol 25-O-(beta-D-glucuronate) 0
                                                      calcitriol 25-O-(beta-D-glucuronide) 0
                                                      calcitriol 26,23-lactone 0
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