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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)-mecoprop
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Accession:CHEBI:75712 term browser browse the term
Definition:The (S)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the inactive stereoisomer of the racemic herbicide mecoprop.
Synonyms:related_synonym: (S)-MCPP;   Formula=C10H11ClO3;   InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m0/s1;   InChIKey=WNTGYJSOUMFZEP-ZETCQYMHSA-N;   SMILES=C[C@H](Oc1ccc(Cl)cc1C)C(O)=O
 xref: Reaxys:3201761
 cyclic_relationship: is_conjugate_acid_of CHEBI:75285;   is_enantiomer_of CHEBI:75703



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 501
    chemical entity 501
      chemical substance 39
        mixture 39
          racemate 26
            rac-lactic acid 1
              2-(4-chloro-2-methylphenoxy)propanoic acid 0
                (S)-mecoprop 0
                  mecoprop 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 501
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    p-block element atom 494
                      carbon group element atom 483
                        carbon atom 482
                          organic molecular entity 482
                            organic group 405
                              organic divalent group 404
                                organodiyl group 404
                                  carbonyl group 404
                                    carbonyl compound 404
                                      carboxylic acid 368
                                        monocarboxylic acid 91
                                          fatty acid 59
                                            saturated fatty acid 51
                                              propionic acid 4
                                                2-hydroxypropanoic acid 1
                                                  (R)-lactic acid 1
                                                    rac-lactic acid 1
                                                      2-(4-chloro-2-methylphenoxy)propanoic acid 0
                                                        (S)-mecoprop 0
                                                          mecoprop 0
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