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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Definition:A bromoindole that is 3H-indole in which the hydrogen at position 2 has been replaced by an (o-nitrophenyl)sulfanyl group and in which the hydrogens at position 3 have been replaced by a bromine and a methyl group.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 21475
    role 21452
      application 20933
        reagent 18026
          BNPS-skatole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21475
    subatomic particle 21460
      composite particle 21460
        hadron 21460
          baryon 21460
            nucleon 21460
              atomic nucleus 21460
                atom 21460
                  main group element atom 21361
                    p-block element atom 21361
                      carbon group element atom 21148
                        carbon atom 21046
                          organic molecular entity 21046
                            organic molecule 20936
                              organic cyclic compound 20495
                                organic heterocyclic compound 19334
                                  organic heteropolycyclic compound 18867
                                    organic heterobicyclic compound 17681
                                      benzopyrrole 9276
                                        indoles 9080
                                          haloindole 4
                                            bromoindole 0
                                              BNPS-skatole 0
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