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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 22205
        role 22190
          biological role 22189
            immunomodulator 15710
              calcitriol 2448
                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 22205
        subatomic particle 22197
          composite particle 22197
            hadron 22197
              baryon 22197
                nucleon 22169
                  atomic nucleus 22197
                    atom 22197
                      main group element atom 22131
                        p-block element atom 22131
                          carbon group element atom 21928
                            carbon atom 21854
                              organic molecular entity 21854
                                organic molecule 21671
                                  organic cyclic compound 21276
                                    organic polycyclic compound 17943
                                      steroid 14887
                                        hydroxy steroid 14621
                                          hydroxy seco-steroid 2725
                                            vitamin D 2720
                                              D3 vitamins 2665
                                                calciol 2665
                                                  hydroxycalciol 2507
                                                    calcitriol 2448
                                                      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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