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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hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group.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: 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 20849
        role 20820
          biological role 20805
            molecular messenger 19443
              hormone 19241
                steroid hormone 7936
                  calciol 2652
                    (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 + 2504
                    oxocalciol + 0
                    tacalcitol 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 20849
        subatomic particle 20847
          composite particle 20860
            hadron 20847
              baryon 20860
                nucleon 20847
                  atomic nucleus 20847
                    atom 20860
                      main group element atom 20781
                        p-block element atom 20768
                          carbon group element atom 20715
                            carbon atom 20710
                              organic molecular entity 20710
                                organic molecule 20654
                                  organic cyclic compound 20403
                                    organic polycyclic compound 17566
                                      steroid 15300
                                        hydroxy steroid 15131
                                          hydroxy seco-steroid 2714
                                            vitamin D 2705
                                              D3 vitamins 2652
                                                calciol 2652
                                                  (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 + 2504
                                                  oxocalciol + 0
                                                  tacalcitol 0
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