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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hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group.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
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      CHEBI ontology 19808
        role 19784
          biological role 19782
            molecular messenger 18611
              hormone 18455
                steroid hormone 7890
                  calciol 2643
                    (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 + 2492
                    oxocalciol + 0
                    tacalcitol 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19808
        subatomic particle 19806
          composite particle 19806
            hadron 19806
              baryon 19806
                nucleon 19806
                  atomic nucleus 19806
                    atom 19806
                      main group element atom 19756
                        p-block element atom 19756
                          carbon group element atom 19705
                            carbon atom 19702
                              organic molecular entity 19702
                                organic molecule 19655
                                  organic cyclic compound 19468
                                    organic polycyclic compound 17225
                                      steroid 14678
                                        hydroxy steroid 14425
                                          hydroxy seco-steroid 2701
                                            vitamin D 2696
                                              D3 vitamins 2643
                                                calciol 2643
                                                  (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 + 2492
                                                  oxocalciol + 0
                                                  tacalcitol 0
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