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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:calciol
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Accession:CHEBI:28940 term browser browse the term
Definition:A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.
Synonyms:related_synonym: (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL;   (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol;   (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol;   CC;   Cholecalciferol;   Delta-D;   Formula=C27H44O;   InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1;   InChIKey=QYSXJUFSXHHAJI-YRZJJWOYSA-N;   SMILES=[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C;   activated 7-dehydrocholesterol;   colecalciferol;   oleovitamin D3;   vitamin D3
 alt_id: CHEBI:10008;   CHEBI:23170;   CHEBI:46283
 xref: Beilstein:2339331;   CAS:67-97-0;   DrugBank:DB00169;   Drug_Central:2840;   Gmelin:1267613;   HMDB:HMDB0000876;   KEGG:C05443;   KEGG:D00188;   LIPID_MAPS_instance:LMST03020000;   LIPID_MAPS_instance:LMST03020001
 xref_mesh: MESH:D002762
 xref: PDBeChem:VD3;   PMID:10347174;   PMID:11493580;   PMID:12174089;   PMID:12955389;   PMID:15214747;   PMID:15876428;   PMID:16886665;   PMID:17156784;   PMID:184223;   PMID:19817701;   PMID:23964472;   PMID:24304198;   PMID:2838261;   PMID:2997282;   PMID:3494111;   PMID:6265326;   PMID:9627702;   PPDB:160;   Reaxys:2339331;   Wikipedia:Cholecalciferol



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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19904
        role 19880
          biological role 19878
            molecular messenger 18674
              hormone 18520
                steroid hormone 7890
                  calciol 2644
                    (24R)-1alpha,24-dihydroxy-22-oxavitamin D3 0
                    1alpha,23(S),25-trihydroxyvitamin D3 0
                    1alpha,2beta,25-trihydroxy vitamin D3 0
                    5,6-trans-vitamin D3 0
                    alfacalcidol 25
                    hydroxycalciol + 2491
                    oxocalciol + 0
                    tacalcitol 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19904
        subatomic particle 19902
          composite particle 19902
            hadron 19902
              baryon 19902
                nucleon 19902
                  atomic nucleus 19902
                    atom 19902
                      main group element atom 19852
                        p-block element atom 19852
                          carbon group element atom 19797
                            carbon atom 19792
                              organic molecular entity 19792
                                organic molecule 19746
                                  organic cyclic compound 19551
                                    organic polycyclic compound 17271
                                      steroid 14704
                                        hydroxy steroid 14448
                                          hydroxy seco-steroid 2703
                                            vitamin D 2698
                                              D3 vitamins 2644
                                                calciol 2644
                                                  (24R)-1alpha,24-dihydroxy-22-oxavitamin D3 0
                                                  1alpha,23(S),25-trihydroxyvitamin D3 0
                                                  1alpha,2beta,25-trihydroxy vitamin D3 0
                                                  5,6-trans-vitamin D3 0
                                                  alfacalcidol 25
                                                  hydroxycalciol + 2491
                                                  oxocalciol + 0
                                                  tacalcitol 0
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