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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)-1-(4-bromoacetamidobenzyl)EDTA
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Accession:CHEBI:59055 term browser browse the term
Definition:A tetracarboxylic acid consisting of ethylenediaminetetraacetic acid having a 4-bromoacetamidobenzyl group at the C1-position and (S)-configuration.
Synonyms:exact_synonym: 2,2',2'',2'''-{[(2S)-3-{4-[(bromoacetyl)amino]phenyl}propane-1,2-diyl]dinitrilo}tetraacetic acid
 related_synonym: 1-(para-Bromoacetamidobenzyl)edta;   2-[[(2S)-1-[bis(carboxymethyl)amino]-3-[4-[(2-bromoacetyl)amino]phenyl] propan-2-yl]-(carboxymethyl)amino]acetic acid;   Fe-BABE;   Formula=C19H24BrN3O9;   InChI=1S/C19H24BrN3O9/c20-6-15(24)21-13-3-1-12(2-4-13)5-14(23(10-18(29)30)11-19(31)32)7-22(8-16(25)26)9-17(27)28/h1-4,14H,5-11H2,(H,21,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)/t14-/m0/s1;   InChIKey=VOQPQBGCWBEYEV-AWEZNQCLSA-N;   N-4-(2,3-Bis(bis(carboxymethyl)amino)propyl)phenyl bromoacetamide;   SMILES=OC(=O)CN(C[C@H](Cc1ccc(NC(=O)CBr)cc1)N(CC(O)=O)CC(O)=O)CC(O)=O
 xref: Beilstein:7236603;   CAS:81677-64-7



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  CHEBI ontology 20059
    role 20009
      chemical role 19539
        ligand 5850
          chelator 5836
            (S)-1-(4-bromoacetamidobenzyl)EDTA 0
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  CHEBI ontology 20059
    subatomic particle 20056
      composite particle 20056
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19873
                          organic molecular entity 19873
                            organic group 18943
                              organic divalent group 18928
                                organodiyl group 18928
                                  carbonyl group 18877
                                    carbonyl compound 18877
                                      carboxylic acid 18565
                                        tetracarboxylic acid 493
                                          (S)-1-(4-bromoacetamidobenzyl)EDTA 0
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