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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:xi-progoitrin
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Accession:CHEBI:79350 term browser browse the term
Definition:A hydroxy-alkenylglucosinolic acid in which a 3-hydroxybut-1-en-4-yl group is attached to the carbon of the oxime sulfate moiety.
Synonyms:exact_synonym: 1-S-[3-hydroxy-N-(sulfooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: Formula=C11H19NO10S2;   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)/t5?,6-,8-,9+,10-,11+/m1/s1;   InChIKey=MYHSVHWQEVDFQT-RNFCHCRPSA-N;   SMILES=[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)SC(=NOS(O)(=O)=O)CC(C=C)O
 cyclic_relationship: is_conjugate_acid_of CHEBI:47798


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    chemical entity 19829
      molecular entity 19829
        polyatomic entity 19787
          heteroatomic molecular entity 19743
            hydroxides 19320
              organic hydroxy compound 18948
                alcohol 15693
                  secondary alcohol 7754
                    xi-progoitrin 0
                      epi-progoitrin 0
                      progoitrin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbohydrates and carbohydrate derivatives 15289
                                    carbohydrate 15289
                                      monosaccharide 4805
                                        aldose 3222
                                          aldohexose 2873
                                            glucose 2828
                                              D-glucose 2826
                                                D-glucopyranose 1809
                                                  beta-D-glucose 1660
                                                    1-thio-beta-D-glucopyranose 15
                                                      beta-D-thioglucoside 15
                                                        desulfoglucosinolic acid 15
                                                          glucosinolic acid 15
                                                            alkenylglucosinolic acid 5
                                                              gluconapin 0
                                                                xi-progoitrin 0
                                                                  epi-progoitrin 0
                                                                  progoitrin 0
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