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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: Beilstein:2227647;   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 26447
        role 26279
          biological role 26247
            immunomodulator 16311
              calcitriol 2526
                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 26447
        subatomic particle 26412
          composite particle 26412
            hadron 26423
              baryon 26412
                nucleon 26423
                  atomic nucleus 26412
                    atom 26412
                      main group element atom 26169
                        p-block element atom 26169
                          carbon group element atom 25605
                            carbon atom 25568
                              organic molecular entity 25557
                                organic molecule 25306
                                  organic cyclic compound 24353
                                    organic polycyclic compound 18822
                                      steroid 15885
                                        hydroxy steroid 15564
                                          hydroxy seco-steroid 2800
                                            vitamin D 2795
                                              D3 vitamins 2742
                                                calciol 2741
                                                  hydroxycalciol 2587
                                                    calcitriol 2526
                                                      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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