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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:progoitrin(1-)
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Accession:CHEBI:8454 term browser browse the term
Definition:A xi-progoitrin(1-) that is the conjugate base of progoitrin.
Synonyms:exact_synonym: 1-S-[(3R)-3-hydroxy-N-(sulfonatooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: (R)-2-hydroxy-3-butenyl glucosinolate;   (R)-2-hydroxybut-3-enylglucosinolate;   Formula=C11H18NO10S2;   InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/p-1/t5-,6+,8+,9-,10+,11-/m0/s1;   InChIKey=MYHSVHWQEVDFQT-ILPXZUKPSA-M;   Progoitrin;   SMILES=[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)SC(=NOS([O-])(=O)=O)C[C@H](C=C)O
 xref: Beilstein:3725711;   Beilstein:6640047;   CAS:585-95-5;   KEGG:C08425;   Reaxys:6640047
 cyclic_relationship: is_conjugate_base_of CHEBI:79352



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Term Annotations click to browse term
  CHEBI ontology 19878
    role 19848
      biological role 19846
        biochemical role 19550
          metabolite 19538
            eukaryotic metabolite 19361
              plant metabolite 17979
                glucosinolate 5
                  hydroxy-alkenylglucosinolate 0
                    xi-progoitrin(1-) 0
                      progoitrin(1-) 0
                        (Z)-progoitrin(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19878
    subatomic particle 19876
      composite particle 19876
        hadron 19876
          baryon 19876
            nucleon 19876
              atomic nucleus 19876
                atom 19876
                  main group element atom 19815
                    p-block element atom 19815
                      chalcogen 19566
                        oxygen atom 19538
                          oxygen molecular entity 19538
                            oxide 12762
                              oxoanion 10297
                                chalcogen oxoanion 659
                                  sulfur oxoanion 657
                                    glycosinolate 5
                                      glucosinolate 5
                                        alkenylglucosinolate 0
                                          gluconapin(1-) 0
                                            xi-progoitrin(1-) 0
                                              progoitrin(1-) 0
                                                (Z)-progoitrin(1-) 0
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