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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)-amlodipine
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Accession:CHEBI:53796 term browser browse the term
Definition:The (4S)-enantiomer of amlodipine.
Synonyms:exact_synonym: 3-ethyl 5-methyl (4S)-2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
 related_synonym: Formula=C20H25ClN2O5;   InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1;   InChIKey=HTIQEAQVCYTUBX-KRWDZBQOSA-N;   SMILES=CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1c1ccccc1Cl)C(=O)OC
 xref: Beilstein:5857143;   Drug_Central:4099;   Reaxys:5857143
 cyclic_relationship: is_enantiomer_of CHEBI:53795


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      application 19630
        fuel 11336
          methanol 3957
            methyl ester 3904
              amlodipine 67
                (S)-amlodipine 0
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
                    p-block element atom 19759
                      chalcogen 19515
                        oxygen atom 19520
                          oxygen molecular entity 19490
                            hydroxides 19300
                              organic hydroxy compound 18928
                                alcohol 15673
                                  primary alcohol 14643
                                    ethanols 8800
                                      ethanol 8806
                                        ethyl ester 4135
                                          amlodipine 67
                                            (S)-amlodipine 0
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