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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hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group.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 20089
        role 20042
          biological role 20011
            molecular messenger 18626
              hormone 18518
                steroid hormone 7865
                  calciol 2625
                    (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 + 2480
                    oxocalciol + 0
                    tacalcitol 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 20089
        subatomic particle 20058
          composite particle 20058
            hadron 20088
              baryon 20088
                nucleon 20088
                  atomic nucleus 20088
                    atom 20058
                      main group element atom 19960
                        p-block element atom 19990
                          carbon group element atom 19916
                            carbon atom 19909
                              organic molecular entity 19909
                                organic molecule 19856
                                  organic cyclic compound 19612
                                    organic polycyclic compound 17201
                                      steroid 14380
                                        hydroxy steroid 14111
                                          hydroxy seco-steroid 2683
                                            vitamin D 2677
                                              D3 vitamins 2626
                                                calciol 2625
                                                  (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 + 2480
                                                  oxocalciol + 0
                                                  tacalcitol 0
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