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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:levosimendan
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Accession:CHEBI:50567 term browser browse the term
Definition:A pyridazinone that has formula C14H12N6O.
Synonyms:exact_synonym: ({4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}hydrazono)propanedintrile
 related_synonym: Formula=C14H12N6O;   InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1;   InChIKey=WHXMKTBCFHIYNQ-SECBINFHSA-N;   SMILES=C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1;   Simdax;   levosimendanum
 xref: Beilstein:6959885;   CAS:141505-33-1;   DrugBank:DB00922;   Drug_Central:1576;   KEGG:D04720;   Patent:GB2251615;   Patent:US5569657



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    chemical entity 19897
      group 19849
        pseudohalo group 4619
          cyano group 4619
            nitrile 4619
              levosimendan 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    p-block element atom 19836
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            organic molecule 19725
                              organic cyclic compound 19517
                                organic heterocyclic compound 18894
                                  organic heteromonocyclic compound 17817
                                    diazines 13248
                                      pyridazines 137
                                        pyridazinone 122
                                          levosimendan 0
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