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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:(S)-norverapamil
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Accession:CHEBI:134081 term browser browse the term
Definition:2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile that has S configuration.
Synonyms:exact_synonym: (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile
 related_synonym: (-)-desmethylverapamil;   (-)-norverapamil;   (S)-desmethylverapamil;   Formula=C26H36N2O4;   InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3/t26-/m0/s1;   InChIKey=UPKQNCPKPOLASS-SANMLTNESA-N;   SMILES=O(C=1C=C(CCNCCC[C@@](C2=CC(OC)=C(OC)C=C2)(C(C)C)C#N)C=CC1OC)C
 xref: CAS:123931-31-7;   Reaxys:6962313
 cyclic_relationship: is_enantiomer_of CHEBI:134082


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norverapamil term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp3a9 cytochrome P450, family 3, subfamily a, polypeptide 9 decreases activity ISO norverapamil results in decreased activity of CYP3A5 protein CTD PMID:15689501 NCBI chr12:16,806,222...16,846,428
Ensembl chr12:16,806,207...16,846,422 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    chemical entity 19840
      group 19768
        pseudohalo group 4572
          cyano group 4572
            nitrile 4563
              2-(3,4-dimethoxyphenyl)-5-\{[2-(3,4-dimethoxyphenyl)ethyl]amino\}-2-(propan-2-yl)pentanenitrile 1
                (S)-norverapamil 1
                  norverapamil 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    main group molecular entity 19759
                      s-block molecular entity 19628
                        hydrogen molecular entity 19614
                          hydrides 19087
                            inorganic hydride 18091
                              pnictogen hydride 18080
                                nitrogen hydride 17987
                                  azane 17796
                                    ammonia 17795
                                      organic amino compound 17795
                                        secondary amino compound 6828
                                          2-(3,4-dimethoxyphenyl)-5-\{[2-(3,4-dimethoxyphenyl)ethyl]amino\}-2-(propan-2-yl)pentanenitrile 1
                                            (S)-norverapamil 1
                                              norverapamil 1
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