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ONTOLOGY REPORT - ANNOTATIONS


Term:neoglucobrassicin
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Accession:CHEBI:27506 term browser browse the term
Definition:An indolyl carbohydrate that is glucobrassicin methoxy substituted at position 1 of the indole moiety.
Synonyms:exact_synonym: 1-S-[2-(1-methoxy-1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: 1-Methoxy-3-indolylmethyl glucosinolate;   1-Methoxy-3-indolylmethylglucosinolate;   1-methoxyindol-3-ylmethylglucosinolate;   Formula=C17H22N2O10S2;   InChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/t12-,14-,15+,16-,17+/m1/s1;   InChIKey=PKKMITFKYRCCOL-CMZRPVNOSA-N;   MIMG;   SMILES=COn1cc(CC(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NOS(O)(=O)=O)c2ccccc12
 alt_id: CHEBI:25494;   CHEBI:7503
 xref: Beilstein:504892 "Beilstein";   CAS:5187-84-8 "ChemIDplus";   CAS:5187-84-8 "KEGG COMPOUND";   HMDB:HMDB0038384;   KEGG:C08424;   KNApSAcK:C00000126
 xref_mesh: MESH:C064701
 xref: MetaCyc:1-METHOXY-3-INDOLYLMETHYL-GLUCOSINOLATE;   PMID:19567766 "Europe PMC";   Reaxys:504892 "Reaxys"
 cyclic_relationship: is_conjugate_acid_of CHEBI:64965


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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 19764
    role 19711
      biological role 19710
        epitope 6814
          beta-D-glucose 1584
            1-thio-beta-D-glucopyranose 14
              beta-D-thioglucoside 14
                glucosinolic acid 14
                  indolylmethylglucosinolic acid 4
                    neoglucobrassicin 2
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 19106
                              organochalcogen compound 18802
                                organooxygen compound 18713
                                  carbohydrates and carbohydrate derivatives 12112
                                    carbohydrate 12112
                                      monosaccharide 3935
                                        aldose 2428
                                          aldohexose 2068
                                            glucose 2028
                                              D-glucose 2028
                                                D-glucopyranose 1608
                                                  beta-D-glucose 1584
                                                    1-thio-beta-D-glucopyranose 14
                                                      beta-D-thioglucoside 14
                                                        desulfoglucosinolic acid 14
                                                          glucosinolic acid 14
                                                            indolylmethylglucosinolic acid 4
                                                              glucobrassicin 4
                                                                neoglucobrassicin 2
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