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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:nemadipine-A
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Accession:CHEBI:78546 term browser browse the term
Definition:A dihydropyridine that is that is 1,4-dihydropyridine which is substituted at positions 2 and 6 by methyl groups, at positions 3 and 5 by ethoxycarbonyl groups, and at position 4 by a pentafluorophenyl group. An L-type calcium channel alpha1-subunit antagonist. When exposed to the microscopic soil nematode Caenorhabditis elegans, nemadipine-A induces a variety of defects including those affecting morphology and egg laying.
Synonyms:exact_synonym: diethyl 2,6-dimethyl-4-(pentafluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
 related_synonym: Formula=C19H18F5NO4;   InChI=1S/C19H18F5NO4/c1-5-28-18(26)9-7(3)25-8(4)10(19(27)29-6-2)11(9)12-13(20)15(22)17(24)16(23)14(12)21/h11,25H,5-6H2,1-4H3;   InChIKey=QABNLWXKUCMDBP-UHFFFAOYSA-N;   SMILES=CCOC(=O)C1=C(C)NC(C)=C(C1c1c(F)c(F)c(F)c(F)c1F)C(=O)OCC
 xref: PMID:16672971;   PMID:18464914;   PMID:21684004;   PMID:24009855;   Reaxys:458028



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Term Annotations click to browse term
  CHEBI ontology 19800
    role 19751
      biological role 19751
        antimicrobial agent 17472
          disinfectant 12333
            ethanol 8193
              ethyl ester 3303
                nemadipine-A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      chalcogen 19450
                        oxygen atom 19423
                          oxygen molecular entity 19423
                            hydroxides 19158
                              organic hydroxy compound 18656
                                alcohol 15085
                                  primary alcohol 14005
                                    ethanols 8193
                                      ethanol 8193
                                        ethyl ester 3303
                                          nemadipine-A 0
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