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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:2alpha-chloro-1beta,25-dihydroxyvitamin D3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol
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Accession:CHEBI:178629 term browser browse the term
Synonyms:exact_synonym: (1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-chloro-4-methylidenecyclohexane-1,3-diol
 related_synonym: Formula=C27H43ClO3;   InChI=1S/C27H43ClO3/c1-17(8-6-14-26(3,4)31)21-12-13-22-19(9-7-15-27(21,22)5)10-11-20-16-23(29)24(28)25(30)18(20)2/h10-11,17,21-25,29-31H,2,6-9,12-16H2,1,3-5H3/b19-10+,20-11-/t17-,21-,22+,23-,24+,25+,27-/m1/s1;   InChIKey=YBTPGKMEEDFQBI-CHGYUPLRSA-N;   SMILES=Cl[C@H]1[C@H](O)C\\C(=C\\C=C/2\\[C@]3([C@@]([C@](CC3)([C@@H](CCCC(O)(C)C)C)[H])(CCC2)C)[H])\\C([C@@H]1O)=C
 xref: Chemspider:7826347;   LIPID_MAPS_instance:LMST03020196


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19893
    role 19863
      biological role 19861
        biochemical role 19567
          vitamin (role) 14046
            fat-soluble vitamin (role) 11262
              vitamin D 2701
                2alpha-chloro-1beta,25-dihydroxyvitamin D3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    p-block element atom 19830
                      carbon group element atom 19771
                        carbon atom 19767
                          organic molecular entity 19767
                            organic molecule 19719
                              organic cyclic compound 19509
                                organic polycyclic compound 17312
                                  steroid 14727
                                    hydroxy steroid 14476
                                      hydroxy seco-steroid 2706
                                        vitamin D 2701
                                          2alpha-chloro-1beta,25-dihydroxyvitamin D3 / 2alpha-chloro-1beta,25-dihydroxycholecalciferol 0
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