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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 5177
    role 5144
      biological role 5144
        biochemical role 5066
          metabolite 5054
            eukaryotic metabolite 5036
              plant metabolite 472
                glucosinolate 0
                  glucoraphenin(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5177
    subatomic particle 5168
      composite particle 5168
        hadron 5168
          baryon 5168
            nucleon 5168
              atomic nucleus 5168
                atom 5168
                  main group element atom 5140
                    p-block element atom 5137
                      chalcogen 5035
                        oxygen atom 5003
                          oxygen molecular entity 5003
                            oxide 100
                              oxoanion 40
                                chalcogen oxoanion 3
                                  sulfur oxoanion 3
                                    glycosinolate 0
                                      glucosinolate 0
                                        alkenylglucosinolate 0
                                          gluconapin(1-) 0
                                            glucoraphenin(1-) 0
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