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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:glucoraphenin(1-)
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Accession:CHEBI:5416 term browser browse the term
Definition:A glucosinolate resulting from the removal of the proton from the oxime hydrogen sulfate group of glucoraphenin.
Synonyms:exact_synonym: 1-S-[(1Z)-5-(methylsulfinyl)-N-(sulfonatooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: 4-Methylsufinyl-3-butenyl glucosinolate;   4-methylsulfinyl-3-butenylglucosinolate;   4-methylsulfinylbut-3-enylglucosinolate;   Formula=C12H20NO9S3;   Glucoraphenin;   InChI=1S/C12H21NO9S3/c1-24(18)5-3-2-4-8(13-25(19,20)21)23-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/p-1/b5-3?,13-8-/t7-,9-,10+,11-,12+,24?/m1/s1;   InChIKey=HWABDHHTQMTFMW-OOLORDSESA-M;   SMILES=[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\\S([O-])(=O)=O)/CCC=CS(=O)C
 xref: CAS:28463-24-3;   KEGG:C08420;   KNApSAcK:C00001481
 cyclic_relationship: is_conjugate_base_of CHEBI:79367


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26447
    role 26279
      biological role 26258
        biochemical role 25464
          metabolite 25398
            eukaryotic metabolite 24861
              plant metabolite 20973
                glucosinolate 5
                  glucoraphenin(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26447
    subatomic particle 26423
      composite particle 26423
        hadron 26423
          baryon 26423
            nucleon 26423
              atomic nucleus 26423
                atom 26423
                  main group element atom 26169
                    p-block element atom 26169
                      chalcogen 25079
                        oxygen atom 24884
                          oxygen molecular entity 24884
                            oxide 13802
                              oxoanion 10871
                                chalcogen oxoanion 725
                                  sulfur oxoanion 723
                                    glycosinolate 5
                                      glucosinolate 5
                                        alkenylglucosinolate 0
                                          gluconapin(1-) 0
                                            glucoraphenin(1-) 0
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