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ONTOLOGY REPORT - ANNOTATIONS


Term:glucobrassicin
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Accession:CHEBI:29028 term browser browse the term
Definition:An indolylmethylglucosinolic acid that is 1-thio-beta-D-glucopyranose having a 2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl group attached to the anomeric sulfur.
Synonyms:exact_synonym: 1-S-[2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: 3-IMG;   3-Indolylmethyl glucosinolate;   3-Indolylmethylglucosinolate;   Formula=C16H20N2O9S2;   InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/t11-,13-,14+,15-,16+/m1/s1;   InChIKey=DNDNWOWHUWNBCK-JZYAIQKZSA-N;   Indolylmethyl glucosinolate;   SMILES=OC[C@H]1O[C@@H](SC(Cc2c[nH]c3ccccc23)=NOS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O;   indol-3-ylmethylglucosinolate
 alt_id: CHEBI:24815;   CHEBI:5398;   CHEBI:60794
 xref: Beilstein:504069 "Beilstein";   CAS:4356-52-9 "ChemIDplus";   CAS:4356-52-9 "KEGG COMPOUND";   HMDB:HMDB0030243;   KEGG:C05837;   KNApSAcK:C00000125
 xref_mesh: MESH:C048308
 xref: MetaCyc:CPD-1863;   PMID:19567706 "Europe PMC";   Reaxys:504069 "Reaxys";   Wikipedia:Glucobrassicin
 cyclic_relationship: is_conjugate_acid_of CHEBI:64962


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glucobrassicin term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Gpx2 glutathione peroxidase 2 JBrowse link 6 99,839,960 99,843,245 RGD:6480464
G Nqo1 NAD(P)H quinone dehydrogenase 1 JBrowse link 19 38,422,210 38,437,103 RGD:6480464
neoglucobrassicin term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Hprt1 hypoxanthine phosphoribosyltransferase 1 JBrowse link X 158,196,640 158,228,815 RGD:6480464
G Sult1a1 sulfotransferase family 1A member 1 JBrowse link 1 198,100,586 198,104,106 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19754
    role 19701
      biological role 19700
        epitope 6815
          beta-D-glucose 1585
            1-thio-beta-D-glucopyranose 14
              beta-D-thioglucoside 14
                glucosinolic acid 14
                  indolylmethylglucosinolic acid 4
                    glucobrassicin 4
                      4-hydroxyglucobrassicin 0
                      4-methoxyglucobrassicin 0
                      neoglucobrassicin 2
                      sulfoglucobrassicin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19754
    subatomic particle 19752
      composite particle 19752
        hadron 19752
          baryon 19752
            nucleon 19752
              atomic nucleus 19752
                atom 19752
                  main group element atom 19637
                    p-block element atom 19637
                      carbon group element atom 19528
                        carbon atom 19517
                          organic molecular entity 19517
                            heteroorganic entity 19095
                              organochalcogen compound 18793
                                organooxygen compound 18705
                                  carbohydrates and carbohydrate derivatives 12118
                                    carbohydrate 12118
                                      monosaccharide 3935
                                        aldose 2431
                                          aldohexose 2070
                                            glucose 2030
                                              D-glucose 2030
                                                D-glucopyranose 1609
                                                  beta-D-glucose 1585
                                                    1-thio-beta-D-glucopyranose 14
                                                      beta-D-thioglucoside 14
                                                        desulfoglucosinolic acid 14
                                                          glucosinolic acid 14
                                                            indolylmethylglucosinolic acid 4
                                                              glucobrassicin 4
                                                                4-hydroxyglucobrassicin 0
                                                                4-methoxyglucobrassicin 0
                                                                neoglucobrassicin 2
                                                                sulfoglucobrassicin 0
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