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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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Term Annotations click to browse term
  CHEBI ontology 2
    role 2
      biological role 2
        biochemical role 2
          metabolite 2
            eukaryotic metabolite 2
              plant metabolite 1
                glucosinolate 0
                  glucoraphenin(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      chalcogen 2
                        oxygen atom 1
                          oxygen molecular entity 1
                            oxide 0
                              oxoanion 0
                                chalcogen oxoanion 0
                                  sulfur oxoanion 0
                                    glycosinolate 0
                                      glucosinolate 0
                                        alkenylglucosinolate 0
                                          gluconapin(1-) 0
                                            glucoraphenin(1-) 0
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