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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:valifenalate
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Accession:CHEBI:83610 term browser browse the term
Definition:A diastereoisomeric mixture of L-(R)- and L-(S)-valifenalate. An anti-peronosporic fungicide, it is used to control mildew in many crops including grapes, potatoes and tomatoes.
Synonyms:exact_synonym: methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)-L-valyl]amino}propanoate
 related_synonym: Formula=C19H27ClN2O5;   InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1;   InChIKey=DBXFMOWZRXXBRN-LWKPJOBUSA-N;   SMILES=COC(=O)CC(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1;   methyl N-(isopropoxycarbonyl)-L-valyl-3-(4-chlorophenyl)-beta-alaninate;   methyl N-(isopropoxycarbonyl)-L-valyl-3-(p-chlorophenyl)-beta-alaninate;   methyl N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-beta-alaninate
 xref: CAS:283159-90-0;   PPDB:1659;   Pesticides:valifenalate;   Reaxys:11327531


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Term Annotations click to browse term
  CHEBI ontology 19771
    chemical entity 19771
      chemical substance 12200
        mixture 11150
          diastereoisomeric mixture 432
            valifenalate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      carboxylic acid 18157
                                        amino acid 14113
                                          branched-chain amino acid 208
                                            valine 120
                                              valine derivative 111
                                                methyl 3-(4-chlorophenyl)-3-\{[N-(isopropoxycarbonyl)valyl]amino\}propanoate 0
                                                  L-(R)-valifenalate 0
                                                    valifenalate 0
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