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ONTOLOGY REPORT - ANNOTATIONS


Term:glucoiberverin
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Accession:CHEBI:79326 term browser browse the term
Definition:An thia-alkylglucosinolic acid that is propylglucosinolic acid in which a hydrogen attached to the terminal carbon of the propyl group has been replaced by a methylsulfanediyl group.
Synonyms:exact_synonym: 1-S-[(1Z)-4-(methylsulfanyl)-N-(sulfooxy)butanimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: 3-Methylthiopropyl glucosinolate;   Formula=C11H21NO9S3;   InChI=1S/C11H21NO9S3/c1-22-4-2-3-7(12-21-24(17,18)19)23-11-10(16)9(15)8(14)6(5-13)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/b12-7-/t6-,8-,9+,10-,11+/m1/s1;   InChIKey=ZCZCVJVUJGULMO-IIPHORNXSA-N;   SMILES=[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\\OS(O)(=O)=O)/CCCSC
 xref: CAS:26888-03-9 "ChemIDplus";   CAS:26888-03-9 "KEGG COMPOUND";   KEGG:C08412;   KNApSAcK:C00001473;   PMID:19229477 "Europe PMC";   PMID:19489541 "Europe PMC";   PMID:24170324 "Europe PMC";   Reaxys:1440252 "Reaxys"
 cyclic_relationship: is_conjugate_acid_of CHEBI:5407


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Term Annotations click to browse term
  CHEBI ontology 19764
    chemical entity 19763
      atom 19762
        nonmetal atom 19634
          sulfur atom 16153
            sulfur molecular entity 16153
              sulfide 8136
                organic sulfide 8136
                  glucoiberverin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19764
    subatomic particle 19762
      composite particle 19762
        hadron 19762
          baryon 19762
            nucleon 19762
              atomic nucleus 19762
                atom 19762
                  main group element atom 19646
                    p-block element atom 19646
                      carbon group element atom 19540
                        carbon atom 19529
                          organic molecular entity 19529
                            heteroorganic entity 19105
                              organochalcogen compound 18802
                                organooxygen compound 18713
                                  carbohydrates and carbohydrate derivatives 12111
                                    carbohydrate 12111
                                      monosaccharide 3933
                                        aldose 2428
                                          aldohexose 2068
                                            glucose 2028
                                              D-glucose 2028
                                                D-glucopyranose 1609
                                                  beta-D-glucose 1585
                                                    1-thio-beta-D-glucopyranose 14
                                                      beta-D-thioglucoside 14
                                                        desulfoglucosinolic acid 14
                                                          glucosinolic acid 14
                                                            alkylglucosinolic acid 7
                                                              thia-alkylglucosinolic acid 7
                                                                glucoiberverin 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.