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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)-benalaxyl
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Accession:CHEBI:82782 term browser browse the term
Definition:A methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate that is the less active S-enantiomer of benalaxyl.
Synonyms:exact_synonym: methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-L-alaninate
 related_synonym: (+)-Benalaxyl;   Formula=C20H23NO3;   InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m0/s1;   InChIKey=CJPQIRJHIZUAQP-INIZCTEOSA-N;   SMILES=COC(=O)[C@H](C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C
 xref: CAS:97716-85-3
 cyclic_relationship: is_enantiomer_of CHEBI:82779


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19838
    role 19814
      application 19658
        fuel 11354
          methanol 3961
            methyl ester 3907
              methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate 0
                (S)-benalaxyl 0
                  benalaxyl 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    p-block element atom 19786
                      carbon group element atom 19734
                        carbon atom 19731
                          organic molecular entity 19731
                            heteroorganic entity 19488
                              organochalcogen compound 19251
                                organooxygen compound 19168
                                  carbon oxoacid 18637
                                    carboxylic acid 18634
                                      monocarboxylic acid 18006
                                        fatty acid 16810
                                          saturated fatty acid 16536
                                            propionic acid 3804
                                              alanine 116
                                                alanine derivative 114
                                                  methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate 0
                                                    (S)-benalaxyl 0
                                                      benalaxyl 0
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