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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:1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3
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Accession:CHEBI:73927 term browser browse the term
Definition:A hydroxycalciol that is calcitriol with a 3-hydroxypropoxy group at position 2.
Synonyms:exact_synonym: (1R,2R,3R,5Z,7E)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
 related_synonym: (5Z,7E)-(1R,2R,3R)-2-(3-hydroxypropoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol;   1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)cholecalciferol;   Eldecalcitol;   Formula=C30H50O5;   InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1;   InChIKey=FZEXGDDBXLBRTD-AYIMTCTASA-N;   SMILES=[H][C@@]1(CC[C@@]2([H])\\C(CCC[C@]12C)=C\\C=C1\\C[C@@H](O)[C@@H](OCCCO)[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O
 xref: CAS:104121-92-8;   Drug_Central:5169;   LIPID_MAPS_instance:LMST03020477
 xref_mesh: MESH:C061137
 xref: Reaxys:7318752


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19922
    role 19894
      biological role 19864
        immunomodulator 15057
          calcitriol 2429
            1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 0
              1alpha,25-dihydroxy-2beta-(1,3-dihydroxypropoxy)vitamin D3 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19922
    subatomic particle 19892
      composite particle 19892
        hadron 19920
          baryon 19892
            nucleon 19920
              atomic nucleus 19892
                atom 19892
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19805
                        carbon atom 19802
                          organic molecular entity 19775
                            organic molecule 19755
                              organic cyclic compound 19545
                                organic polycyclic compound 17272
                                  steroid 14707
                                    hydroxy steroid 14456
                                      hydroxy seco-steroid 2702
                                        vitamin D 2697
                                          D3 vitamins 2644
                                            calciol 2643
                                              hydroxycalciol 2492
                                                calcitriol 2429
                                                  1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 0
                                                    1alpha,25-dihydroxy-2beta-(1,3-dihydroxypropoxy)vitamin D3 0
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