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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: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;   CAS:5187-84-8;   HMDB:HMDB0038384;   KEGG:C08424;   KNApSAcK:C00000126
 xref_mesh: MESH:C064701
 xref: MetaCyc:1-METHOXY-3-INDOLYLMETHYL-GLUCOSINOLATE;   PMID:19567766;   Reaxys:504892
 cyclic_relationship: is_conjugate_acid_of CHEBI:64965


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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 19831
    role 19807
      biological role 19805
        epitope 7033
          beta-D-glucose 1660
            1-thio-beta-D-glucopyranose 15
              beta-D-thioglucoside 15
                glucosinolic acid 15
                  indolylmethylglucosinolic acid 4
                    neoglucobrassicin 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbohydrates and carbohydrate derivatives 15289
                                    carbohydrate 15289
                                      monosaccharide 4805
                                        aldose 3222
                                          aldohexose 2873
                                            glucose 2828
                                              D-glucose 2826
                                                D-glucopyranose 1809
                                                  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
                                                                neoglucobrassicin 2
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