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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:5,5'-dibromo-BAPTA
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Accession:CHEBI:60890 term browser browse the term
Definition:A polyamino carboxylic acid, the structure of which is that of BAPTA carrying bromine substituents at C-5 and C-5'.
Synonyms:exact_synonym: 2,2',2'',2'''-{ethane-1,2-diylbis[oxy(4-bromo-2,1-phenylene)nitrilo]}tetraacetic acid
 related_synonym: (1,2-Bis(2-bis)(carboxymethyl)amino-5-bromophenoxy)ethane;   1,2-Bis(2-bis(2-amino-5-bromophenoxy)ethane)-N,N,N',N'-tetraacetic acid;   5,5'-Dibromo-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid;   Br2-BAPTA;   Dibromo-bapta;   Formula=C22H22Br2N2O10;   InChI=1S/C22H22Br2N2O10/c23-13-1-3-15(25(9-19(27)28)10-20(29)30)17(7-13)35-5-6-36-18-8-14(24)2-4-16(18)26(11-21(31)32)12-22(33)34/h1-4,7-8H,5-6,9-12H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34);   InChIKey=KCTRRYZOCJDOTC-UHFFFAOYSA-N;   N,N'-(1,2-ethanediylbis(oxy(4-bromo-2,1-phenylene)))bis(N-(carboxymethyl))glycine;   SMILES=OC(=O)CN(CC(O)=O)c1ccc(Br)cc1OCCOc1cc(Br)ccc1N(CC(O)=O)CC(O)=O
 xref: CAS:111248-72-7;   Reaxys:10221954



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  CHEBI ontology 20039
    role 19990
      chemical role 19519
        ligand 5843
          chelator 5829
            5,5'-dibromo-BAPTA 0
Path 2
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  CHEBI ontology 20039
    subatomic particle 20037
      composite particle 20037
        hadron 20037
          baryon 20037
            nucleon 20037
              atomic nucleus 20037
                atom 20037
                  main group element atom 19938
                    p-block element atom 19938
                      carbon group element atom 19861
                        carbon atom 19852
                          organic molecular entity 19852
                            organic group 18932
                              organic divalent group 18916
                                organodiyl group 18916
                                  carbonyl group 18865
                                    carbonyl compound 18865
                                      carboxylic acid 18553
                                        amino acid 14924
                                          polyamino carboxylic acid 93
                                            BAPTA 40
                                              5,5'-dibromo-BAPTA 0
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