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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: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;   CAS:4356-52-9;   HMDB:HMDB0030243;   KEGG:C05837;   KNApSAcK:C00000125
 xref_mesh: MESH:C048308
 xref: MetaCyc:CPD-1863;   PMID:19567706;   Reaxys:504069;   Wikipedia:Glucobrassicin
 cyclic_relationship: is_conjugate_acid_of CHEBI:64962


show annotations for term's descendants           Sort by:
glucobrassicin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Gpx2 glutathione peroxidase 2 multiple interactions
decreases expression		 ISO glucobrassicin analog inhibits the reaction [glucoraphanin analog results in increased expression of GPX2 mRNA]
glucobrassicin analog results in decreased expression of GPX2 protein		 CTD PMID:20868228 NCBI chr 6:95,493,589...95,496,877
Ensembl chr 6:95,493,589...95,496,877 		JBrowse link
G Nqo1 NAD(P)H quinone dehydrogenase 1 multiple interactions
decreases activity		 ISO glucobrassicin analog inhibits the reaction [glucoraphanin results in increased activity of NQO1 protein]
glucobrassicin analog results in decreased activity of NQO1 protein		 CTD PMID:20868228 NCBI chr19:35,295,633...35,310,528
Ensembl chr19:35,295,573...35,310,557 		JBrowse link
neoglucobrassicin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Hprt1 hypoxanthine phosphoribosyltransferase 1 increases mutagenesis ISO 1-methoxy-3-indolylmethylglucosinolate metabolite results in increased mutagenesis of HPRT1 gene CTD PMID:20846518 NCBI chr  X:132,736,175...132,768,149
Ensembl chr  X:132,736,096...132,768,154 		JBrowse link
G Sult1a1 sulfotransferase family 1A member 1 increases response to substance ISO SULT1A1 protein results in increased susceptibility to 1-methoxy-3-indolylmethylglucosinolate metabolite CTD PMID:20846518 NCBI chr 1:181,272,022...181,276,750
Ensembl chr 1:181,272,023...181,275,562 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19921
    role 19893
      biological role 19891
        epitope 7033
          beta-D-glucose 1660
            1-thio-beta-D-glucopyranose 15
              beta-D-thioglucoside 15
                glucosinolic acid 15
                  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 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19865
                    p-block element atom 19865
                      carbon group element atom 19804
                        carbon atom 19801
                          organic molecular entity 19801
                            heteroorganic entity 19558
                              organochalcogen compound 19317
                                organooxygen compound 19233
                                  carbohydrates and carbohydrate derivatives 15293
                                    carbohydrate 15293
                                      monosaccharide 4814
                                        aldose 3233
                                          aldohexose 2885
                                            glucose 2839
                                              D-glucose 2837
                                                D-glucopyranose 1811
                                                  beta-D-glucose 1660
                                                    1-thio-beta-D-glucopyranose 15
                                                      beta-D-thioglucoside 15
                                                        desulfoglucosinolic acid 15
                                                          glucosinolic acid 15
                                                            indolylmethylglucosinolic acid 4
                                                              glucobrassicin 4
                                                                4-hydroxyglucobrassicin 0
                                                                4-methoxyglucobrassicin 0
                                                                neoglucobrassicin 2
                                                                sulfoglucobrassicin 0
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