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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 19734
    role 19680
      biological role 19678
        epitope 6770
          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 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      carbon group element atom 19506
                        carbon atom 19500
                          organic molecular entity 19500
                            heteroorganic entity 19066
                              organochalcogen compound 18783
                                organooxygen compound 18696
                                  carbohydrates and carbohydrate derivatives 12112
                                    carbohydrate 12112
                                      monosaccharide 3930
                                        aldose 2430
                                          aldohexose 2069
                                            glucose 2029
                                              D-glucose 2029
                                                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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