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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:BNPS-skatole
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Accession:CHEBI:85968 term browser browse the term
Definition:A bromoindole that is 3H-indole in which the hydrogen at position 2 has been replaced by an (o-nitrophenyl)sulfanyl group and in which the hydrogens at position 3 have been replaced by a bromine and a methyl group. It is used particularly for the selective cleavage of tryptophanyl peptide bonds (cleavage occurs at peptide bonds after amino acids with available C(gamma)=C(delta) double bonds such as tryptophan, tyrosine, and histidine).
Synonyms:exact_synonym: 3-bromo-3-methyl-2-[(2-nitrophenyl)sulfanyl]-3H-indole
 related_synonym: 2-(2-nitrophenyl)-3-methyl-3-bromoindolenine;   3-bromo-3-methyl-2-(2-nitrophenyl)sulfanylindole;   3-bromo-3-methyl-2-(2-nitrophenylthio)-3H-indole;   Formula=C15H11BrN2O2S;   InChI=1S/C15H11BrN2O2S/c1-15(16)10-6-2-3-7-11(10)17-14(15)21-13-9-5-4-8-12(13)18(19)20/h2-9H,1H3;   InChIKey=BXTVQNYQYUTQAZ-UHFFFAOYSA-N;   SMILES=CC1(Br)C(Sc2ccccc2[N+]([O-])=O)=Nc2ccccc12
 xref: CAS:27933-36-4;   PMID:10071923;   PMID:105078;   PMID:16306230;   PMID:23014422;   PMID:25759021;   PMID:6767558;   PMID:7115782;   PMID:7396860;   Reaxys:1491457


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      application 19393
        reagent 17168
          BNPS-skatole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic molecule 19488
                              organic cyclic compound 19285
                                organic heterocyclic compound 18410
                                  organic heteropolycyclic compound 17824
                                    organic heterobicyclic compound 16744
                                      benzopyrrole 9340
                                        indoles 9194
                                          haloindole 4
                                            bromoindole 0
                                              BNPS-skatole 0
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