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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:elesclomol-Cu(II)
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Accession:CHEBI:79377 term browser browse the term
Definition:The copper coordination entity formed from elesclomol by coordination to copper via the thiocarbonyl and hydrazino groups.
Synonyms:exact_synonym: {N'(1),N'(3)-dimethyl-N'(1),N'(3)-bis[phenyl(thioxo-kappaS)methyl]malonohydrazido(2-)-kappa(2)N(1),N(3)}copper
 related_synonym: Formula=C19H18CuN4O2S2;   InChI=1S/C19H20N4O2S2.Cu/c1-22(18(26)14-9-5-3-6-10-14)20-16(24)13-17(25)21-23(2)19(27)15-11-7-4-8-12-15;/h3-12H,13H2,1-2H3,(H2,20,21,24,25);/q;+2/p-2;   InChIKey=UUSCWIGUMPDFDE-UHFFFAOYSA-L;   SMILES=CN1N2C(=O)CC(=O)N3N(C)C(=[S+][Cu--]23[S+]=C1c1ccccc1)c1ccccc1;   elesclomol-Cu;   elesclomol-Cu(2+);   elesclomol-copper
 xref: Patent:WO2013071106;   Reaxys:24095943


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Term Annotations click to browse term
  CHEBI ontology 19875
    role 19825
      biological role 19825
        biochemical role 19360
          apoptosis inducer 11013
            elesclomol-Cu(II) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic group 18569
                              organic divalent group 18560
                                organodiyl group 18560
                                  carbonyl group 18468
                                    carbonyl compound 18468
                                      dicarboxylic acids and O-substituted derivatives 10300
                                        dicarboxylic acid 10292
                                          alpha,omega-dicarboxylic acid 2784
                                            malonic acid 60
                                              elesclomol 42
                                                elesclomol-Cu(II) 0
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