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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:O-(4-trifluoroacetamidobenzylphosphonyl)chloramphenicol
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Accession:CHEBI:47691 term browser browse the term
Definition:A C-nitro compound that is a chloramphenicol phosphonate hapten which acts as a transition state analogue for the hydrolysis of chloramphenicol esters mediated by the catalytic antibody 7C8.
Synonyms:exact_synonym: (1R,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl hydrogen {4-[(trifluoroacetyl)amino]benzyl}phosphonate
 related_synonym: Formula=C20H19Cl2F3N3O8P;   InChI=1S/C20H19Cl2F3N3O8P/c21-17(22)18(30)27-15(9-29)16(12-3-7-14(8-4-12)28(32)33)36-37(34,35)10-11-1-5-13(6-2-11)26-19(31)20(23,24)25/h1-8,15-17,29H,9-10H2,(H,26,31)(H,27,30)(H,34,35)/t15-,16-/m1/s1;   InChIKey=GXXWSSFOFDWOBZ-HZPDHXFCSA-N;   SMILES=C1=C([C@H]([C@H](NC(C(Cl)Cl)=O)CO)OP(CC2=CC=C(C=C2)NC(C(F)(F)F)=O)(=O)O)C=CC(=C1)[N+]([O-])=O
 xref: PDB:1CT8;   PMID:17428500;   Reaxys:7326264


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19898
    role 19868
      biological role 19866
        hapten 3061
          O-(4-trifluoroacetamidobenzylphosphonyl)chloramphenicol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            heteroorganic entity 19528
                              organochalcogen compound 19290
                                organooxygen compound 19206
                                  carbon oxoacid 18675
                                    carboxylic acid 18672
                                      carboacyl group 17712
                                        univalent carboacyl group 17712
                                          carbamoyl group 17563
                                            carboxamide 17563
                                              trifluoroacetamide 1
                                                O-(4-trifluoroacetamidobenzylphosphonyl)chloramphenicol 0
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