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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Definition:A bromoindole that is 3H-indole in which the hydrogen at position 2 has been replaced by an (o-nitrophenyl)sulfanyl group and in which the hydrogens at position 3 have been replaced by a bromine and a methyl group.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 24359
    role 24266
      application 23758
        reagent 19249
          BNPS-skatole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24359
    subatomic particle 24315
      composite particle 24315
        hadron 24315
          baryon 24315
            nucleon 24315
              atomic nucleus 24315
                atom 24315
                  main group element atom 24160
                    p-block element atom 24160
                      carbon group element atom 23936
                        carbon atom 23892
                          organic molecular entity 23892
                            organic molecule 23769
                              organic cyclic compound 23036
                                organic heterocyclic compound 21142
                                  organic heteropolycyclic compound 20181
                                    organic heterobicyclic compound 17817
                                      benzopyrrole 9849
                                        indoles 9702
                                          haloindole 4
                                            bromoindole 0
                                              BNPS-skatole 0
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